CAS 81403-67-0

1 2D Structure

CAS 81403-67-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[3-(methylamino)propyl]oxolane-2-carboxamide

2.1.2 InChI

InChI=1S/C9H18N2O2/c1-10-5-3-6-11-9(12)8-4-2-7-13-8/h8,10H,2-7H2,1H3,(H,11,12)

2.1.3 InChI Key

AUXJTEANWWFSRR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CNCCCNC(=O)C1CCCO1

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 81403-67-0

2. N-(3-(methylamino)propyl)tetrahydrofuran-2-carboxamide

3. Tetrahydrofuran-2-carboxylic Acid (3-methylaminopropyl)amide

4. [(3-methylamino)propyl]tetrahydro-2-furancarboxamide

5. Tetrahydrofuran-2-carboxylic Acid (3-methylamino-propyl)-amide

6. N-[3-(methylamino)propyl]tetrahydrofuran-2-carboxamide

7. 2-furancarboxamide, Tetrahydro-n-[3-(methylamino)propyl]-

8. Schembl4234473

9. Dtxsid90441367

10. Akos009618069

11. Ft-0655664

12. 403m670

13. A840120

14. Tetrahydro-n-[3-(methylamino)-propyl]-2-furancarboxamide

15. Tetrahydro-n-[3-(methylamino)propyl]-2-furancarboxamide

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₈N₂O₂
Molecular Weight	186.25 g/mol
XLogP3	-0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	186.136827821 g/mol
Monoisotopic Mass	186.136827821 g/mol
Topological Polar Surface Area	50.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	162
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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