CAS 1698293-93-4

1 2D Structure

CAS 1698293-93-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-methyl-2-propan-2-ylpyridin-3-amine

2.1.2 InChI

InChI=1S/C9H14N2/c1-6(2)9-8(10)7(3)4-5-11-9/h4-6H,10H2,1-3H3

2.1.3 InChI Key

VXPOAPWLMVAUCK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C(=NC=C1)C(C)C)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1698293-93-4

2. 4-methyl-2-propan-2-ylpyridin-3-amine

3. Mfcd30828926

4. 3-amino-2-isopropyl-4-methylpyridine

5. Schembl19590668

6. Tqp0005

7. Amy16929

8. Bcp31351

9. 2-isopropyl-4-methyl-pyridin-3-amine

10. Akos037645687

11. Zinc232746054

12. Cs-w018348

13. Pb48292

14. As-62265

15. Sy251570

16. 4-methyl-2-(propan-2-yl)pyridin-3-amine

17. Ft-0700850

18. A901831

2.3 Create Date

2016-01-15

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₄N₂
Molecular Weight	150.22 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	150.115698455 g/mol
Monoisotopic Mass	150.115698455 g/mol
Topological Polar Surface Area	38.9 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	123
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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