3-methyl-6,7,8,9-tetrahydro-3H-pyrido[4,3-b]azepine

C10H14N2 — CID 123521363

IUPAC3-methyl-6,7,8,9-tetrahydro-3H-pyrido[4,3-b]azepine
SMILESCC1C=CC2=C(CCNC2)N=C1
InChIInChI=1S/C10H14N2/c1-8-2-3-9-7-11-5-4-10(9)12-6-8/h2-3,6,8,11H,4-5,7H2,1H3
InChIKeyXIFSHHZNXVAXRS-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.51
Rot. Bonds

About 3-methyl-6,7,8,9-tetrahydro-3H-pyrido[4,3-b]azepine

3-methyl-6,7,8,9-tetrahydro-3H-pyrido[4,3-b]azepine (PubChem CID 123521363) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 3-methyl-6,7,8,9-tetrahydro-3H-pyrido[4,3-b]azepine.

Molecular Properties

Compound Name3-methyl-6,7,8,9-tetrahydro-3H-pyrido[4,3-b]azepine
PubChem CID123521363
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name3-methyl-6,7,8,9-tetrahydro-3H-pyrido[4,3-b]azepine
SMILESCC1C=CC2=C(CCNC2)N=C1
InChIInChI=1S/C10H14N2/c1-8-2-3-9-7-11-5-4-10(9)12-6-8/h2-3,6,8,11H,4-5,7H2,1H3
InChIKeyXIFSHHZNXVAXRS-UHFFFAOYSA-N
XLogP1.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine
CID 70267946
5-Methyl-1,5-dihydropyrrolo[2,3-c]azepine
CID 89029100
2,3-di(ethylidene)-N-(3-methylbutan-2-yl)pyridin-4-amine
CID 91148771
N-[(1Z)-1-[(5Z)-5-ethylidene-1,2-dihydropyridin-6-ylidene]ethyl]butan-1-imine
CID 118124176
3-methyl-6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine
CID 123695228
1,7-Dimethyl-3,4,5,5a,6,8-hexahydropyrido[4,3-e][1,4]diazepin-1-ium
CID 123705077
N-propyl-3H-azepin-5-amine
CID 129019211
8-Methylidene-3,7-dihydropyrido[4,3-b]azepine
CID 129144955
(4aR)-7-methylidene-5,6-dihydro-4aH-1,6-naphthyridine
CID 129145090
(2Z)-4-methylidene-2-(5-methylidene-1,2-dihydropyridin-6-ylidene)azepine
CID 134407073
N-(3H-azepin-5-ylmethyl)propan-2-amine
CID 137512128
(3Z)-N-ethyl-2-methylidene-3-[(2Z)-penta-2,4-dienylidene]pyridin-4-amine
CID 138601574

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6,7,8,9-tetrahydro-3H-pyrido[4,3-b]azepine?
The IUPAC name of 3-methyl-6,7,8,9-tetrahydro-3H-pyrido[4,3-b]azepine (CID 123521363) is 3-methyl-6,7,8,9-tetrahydro-3H-pyrido[4,3-b]azepine.
What is the SMILES notation for 3-methyl-6,7,8,9-tetrahydro-3H-pyrido[4,3-b]azepine?
The canonical SMILES for 3-methyl-6,7,8,9-tetrahydro-3H-pyrido[4,3-b]azepine is CC1C=CC2=C(CCNC2)N=C1.
What is the InChIKey of 3-methyl-6,7,8,9-tetrahydro-3H-pyrido[4,3-b]azepine?
The InChIKey is XIFSHHZNXVAXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-8-2-3-9-7-11-5-4-10(9)12-6-8/h2-3,6,8,11H,4-5,7H2,1H3.
What are the key properties of 3-methyl-6,7,8,9-tetrahydro-3H-pyrido[4,3-b]azepine?
3-methyl-6,7,8,9-tetrahydro-3H-pyrido[4,3-b]azepine has a molecular weight of 162.24 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6,7,8,9-tetrahydro-3H-pyrido[4,3-b]azepine is sourced from PubChem (CID 123521363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).