2,6,8-trimethyl-8H-pyrido[2,3-b]azepine

C12H14N2 — CID 143261930

IUPAC2,6,8-trimethyl-8H-pyrido[2,3-b]azepine
SMILESCC1=CC(C)N=c2nc(C)ccc2=C1
InChIInChI=1S/C12H14N2/c1-8-6-10(3)14-12-11(7-8)5-4-9(2)13-12/h4-7,10H,1-3H3
InChIKeyFKWOLZVPGJZCKC-UHFFFAOYSA-N
MW186.26 g/mol
LogP1.14
Rot. Bonds

About 2,6,8-trimethyl-8H-pyrido[2,3-b]azepine

2,6,8-trimethyl-8H-pyrido[2,3-b]azepine (PubChem CID 143261930) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2,6,8-trimethyl-8H-pyrido[2,3-b]azepine.

Molecular Properties

Compound Name2,6,8-trimethyl-8H-pyrido[2,3-b]azepine
PubChem CID143261930
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2,6,8-trimethyl-8H-pyrido[2,3-b]azepine
SMILESCC1=CC(C)N=c2nc(C)ccc2=C1
InChIInChI=1S/C12H14N2/c1-8-6-10(3)14-12-11(7-8)5-4-9(2)13-12/h4-7,10H,1-3H3
InChIKeyFKWOLZVPGJZCKC-UHFFFAOYSA-N
XLogP1.14
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-methyl-3aH-benzimidazole
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2-ethyl-3aH-benzimidazole
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5-methyl-3aH-benzimidazole
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2-tert-butyl-3aH-benzimidazole
CID 53405530
2,6-dimethyl-2H-azepin-7-amine
CID 57119104
2-tert-butyl-7-methyl-3aH-benzimidazole
CID 58082047
(3Z)-3-ethylidene-N-methylpyridin-2-imine
CID 68010675
2-methyl-3aH-benzimidazole;silver
CID 88296710
7-Methyl-6,7-dihydro-1,8-naphthyridin-2-amine
CID 89038587

Frequently Asked Questions

What is the IUPAC name of 2,6,8-trimethyl-8H-pyrido[2,3-b]azepine?
The IUPAC name of 2,6,8-trimethyl-8H-pyrido[2,3-b]azepine (CID 143261930) is 2,6,8-trimethyl-8H-pyrido[2,3-b]azepine.
What is the SMILES notation for 2,6,8-trimethyl-8H-pyrido[2,3-b]azepine?
The canonical SMILES for 2,6,8-trimethyl-8H-pyrido[2,3-b]azepine is CC1=CC(C)N=c2nc(C)ccc2=C1.
What is the InChIKey of 2,6,8-trimethyl-8H-pyrido[2,3-b]azepine?
The InChIKey is FKWOLZVPGJZCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-8-6-10(3)14-12-11(7-8)5-4-9(2)13-12/h4-7,10H,1-3H3.
What are the key properties of 2,6,8-trimethyl-8H-pyrido[2,3-b]azepine?
2,6,8-trimethyl-8H-pyrido[2,3-b]azepine has a molecular weight of 186.26 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,8-trimethyl-8H-pyrido[2,3-b]azepine is sourced from PubChem (CID 143261930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).