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

C10H14N2 — CID 123695228

IUPAC3-methyl-6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine
SMILESCC1C=CC2=C(CNCC2)N=C1
InChIInChI=1S/C10H14N2/c1-8-2-3-9-4-5-11-7-10(9)12-6-8/h2-3,6,8,11H,4-5,7H2,1H3
InChIKeyYOFBURAMQPUSOA-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.51
Rot. Bonds

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

3-methyl-6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine (PubChem CID 123695228) 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[3,4-b]azepine.

Molecular Properties

Compound Name3-methyl-6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine
PubChem CID123695228
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name3-methyl-6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine
SMILESCC1C=CC2=C(CNCC2)N=C1
InChIInChI=1S/C10H14N2/c1-8-2-3-9-4-5-11-7-10(9)12-6-8/h2-3,6,8,11H,4-5,7H2,1H3
InChIKeyYOFBURAMQPUSOA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1,3,5,8,10,12,14-heptaen-2-amine
CID 57230838
8-Aza-1-azoniatricyclo[8.3.0.03,7]trideca-1(13),3(7),5,10-tetraene
CID 58669499
N-[2-(2,3-dihydropyridin-5-yl)ethyl]-4-methylcyclohexa-1,5-dien-1-amine
CID 89503221
2,3,5a,9a-tetrahydro-1H-1,5-benzodiazepine
CID 90804015
2,3,5a,9a-tetrahydro-1H-1,4-benzodiazepine
CID 90980838
N-[(1Z)-1-[(5Z)-5-ethylidene-1,2-dihydropyridin-6-ylidene]ethyl]butan-1-imine
CID 118124176
6-methyl-7-(3-methyl-2,3-dihydro-1H-pyrrol-5-yl)-4,5-dihydro-3H-azepine
CID 123155330
3-methyl-6,7,8,9-tetrahydro-3H-pyrido[4,3-b]azepine
CID 123521363
5-Methyl-1,2,5,6-tetrahydroquinoxaline
CID 129275730
(2Z)-4-methylidene-2-(5-methylidene-1,2-dihydropyridin-6-ylidene)azepine
CID 134407073
(2E,7Z)-N-ethyl-3-methyl-6-methylidene-5-(2-methylpropylideneamino)nona-2,7-dien-4-amine
CID 139519521
3,7,9,9-Tetramethyl-3,6,7,8-tetrahydropyrido[3,4-b]azepine
CID 142152429

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine?
The IUPAC name of 3-methyl-6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine (CID 123695228) is 3-methyl-6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine.
What is the SMILES notation for 3-methyl-6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine?
The canonical SMILES for 3-methyl-6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine is CC1C=CC2=C(CNCC2)N=C1.
What is the InChIKey of 3-methyl-6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine?
The InChIKey is YOFBURAMQPUSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-8-2-3-9-4-5-11-7-10(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[3,4-b]azepine?
3-methyl-6,7,8,9-tetrahydro-3H-pyrido[3,4-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[3,4-b]azepine is sourced from PubChem (CID 123695228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).