CAS 25419-06-1

1 2D Structure

CAS 25419-06-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-methylpentan-1-amine

2.1.2 InChI

InChI=1S/C6H15N/c1-3-4-5-6-7-2/h7H,3-6H2,1-2H3

2.1.3 InChI Key

UOIWOHLIGKIYFE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCNC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 25419-06-1

2. N-methylpentan-1-amine

3. Amylmethylamine

4. 1-pentanamine, N-methyl-

5. N-methylamylamine

6. Methylpentylamine

7. Pentylamine, N-methyl-

8. Methyl-pentyl-amine

9. N-methyl-n-pentylamine

10. Methyl(pentyl)amine

11. Methylamylamine

12. N-pentylmethylamine

13. N-methylpentanamine

14. Einecs 246-966-9

15. N-methyl-n-amylamine

16. N-amyl-n-methylamine

17. N-methyl-1-pentanamine

18. N-methylpentylamine, 98%

19. Schembl231680

20. Chembl298481

21. Dtxsid90180082

22. Albb-022351

23. Zinc2390167

24. Mfcd00041354

25. Akos000162079

26. Cs-w016645

27. Bs-16259

28. Db-000336

29. A5128

30. Ft-0638523

31. M2231

32. D91584

33. 419m061

34. Q6036780

35. W-107238

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₅N
Molecular Weight	101.19 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	101.120449483 g/mol
Monoisotopic Mass	101.120449483 g/mol
Topological Polar Surface Area	12 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	27.4
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS 25419-06-1

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