6-methyl-2-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-3H-azepine

C14H18N2 — CID 142816594

IUPAC6-methyl-2-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-3H-azepine
SMILESCC1=CN=C(C2=CCCC(C)C=N2)CC=C1
InChIInChI=1S/C14H18N2/c1-11-5-3-7-13(15-9-11)14-8-4-6-12(2)10-16-14/h3,5,8-10,12H,4,6-7H2,1-2H3
InChIKeyUSJQKARBBNQRJZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.68
Rot. Bonds1

About 6-methyl-2-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-3H-azepine

6-methyl-2-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-3H-azepine (PubChem CID 142816594) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 6-methyl-2-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-3H-azepine.

Molecular Properties

Compound Name6-methyl-2-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-3H-azepine
PubChem CID142816594
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name6-methyl-2-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-3H-azepine
SMILESCC1=CN=C(C2=CCCC(C)C=N2)CC=C1
InChIInChI=1S/C14H18N2/c1-11-5-3-7-13(15-9-11)14-8-4-6-12(2)10-16-14/h3,5,8-10,12H,4,6-7H2,1-2H3
InChIKeyUSJQKARBBNQRJZ-UHFFFAOYSA-N
XLogP3.68
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-methyl-2-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-3H-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

2,5-di(propan-2-yl)-3H-azepine
CID 10241356
4,7-di(propan-2-yl)-3H-azepine
CID 11819584
2-Methyl-5-vinylterazole
CID 129761424
N-[(1Z)-1-(2-methylidene-4H-azepin-3-ylidene)ethyl]propan-2-imine
CID 91235452
N-(4-ethyl-2,7-dimethyl-2H-azepin-5-yl)-5-methyloct-6-en-2-imine
CID 91493860
(4E,6Z)-2-methylidene-7-(2-methylpropyl)-3H-azocine
CID 123484113
N-methyl-3-[(Z)-2-[[(Z)-3-methylpent-2-enylidene]amino]ethenyl]hexan-2-imine
CID 123508740
5-Methylidene-2-propan-2-yl-6-prop-2-enylazepine
CID 123526624
(4Z)-5-ethenyl-4-N-ethylidene-3-N,6-dimethylhepta-4,6-diene-3,4-diimine
CID 123747560
4-methyl-3-N-(2-methylbutylidene)-2-N-[(E)-pent-1-enyl]pent-3-ene-2,3-diimine
CID 126599381
(Z,3E)-3-[(ethylideneamino)methylidene]-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hex-4-en-2-imine
CID 126661623
N-[(2Z,4E)-5-(3-methyl-3,4-dihydropyridin-2-yl)hexa-2,4-dien-2-yl]methanimine
CID 126746594

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-3H-azepine?
The IUPAC name of 6-methyl-2-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-3H-azepine (CID 142816594) is 6-methyl-2-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-3H-azepine.
What is the SMILES notation for 6-methyl-2-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-3H-azepine?
The canonical SMILES for 6-methyl-2-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-3H-azepine is CC1=CN=C(C2=CCCC(C)C=N2)CC=C1.
What is the InChIKey of 6-methyl-2-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-3H-azepine?
The InChIKey is USJQKARBBNQRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-11-5-3-7-13(15-9-11)14-8-4-6-12(2)10-16-14/h3,5,8-10,12H,4,6-7H2,1-2H3.
What are the key properties of 6-methyl-2-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-3H-azepine?
6-methyl-2-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-3H-azepine has a molecular weight of 214.31 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-methyl-4,5-dihydro-3H-azepin-7-yl)-3H-azepine is sourced from PubChem (CID 142816594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).