2,3,6,7-tetramethyl-4H-azepine

C10H15N — CID 143143583

IUPAC2,3,6,7-tetramethyl-4H-azepine
SMILESCC1=CCC(C)=C(C)N=C1C
InChIInChI=1S/C10H15N/c1-7-5-6-8(2)10(4)11-9(7)3/h5H,6H2,1-4H3
InChIKeyLILZKLGAEBGBGL-UHFFFAOYSA-N
MW149.24 g/mol
LogP3.09
Rot. Bonds

About 2,3,6,7-tetramethyl-4H-azepine

2,3,6,7-tetramethyl-4H-azepine (PubChem CID 143143583) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 2,3,6,7-tetramethyl-4H-azepine.

Molecular Properties

Compound Name2,3,6,7-tetramethyl-4H-azepine
PubChem CID143143583
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name2,3,6,7-tetramethyl-4H-azepine
SMILESCC1=CCC(C)=C(C)N=C1C
InChIInChI=1S/C10H15N/c1-7-5-6-8(2)10(4)11-9(7)3/h5H,6H2,1-4H3
InChIKeyLILZKLGAEBGBGL-UHFFFAOYSA-N
XLogP3.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3,6,7-tetramethyl-4H-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-dimethylcyclopenta-1,4-dien-1-yl)-trimethylsilane
CID 139800191
2-chloro-3-ethyl-6,7-dimethyl-4H-azepine
CID 123489443
3,4-dimethyl-6H-oxazine
CID 144672235
5,6-dimethyl-2,3-dihydropyridine;ethane
CID 142828316
2,3-dimethyl-6-propan-2-ylidenecyclohepta-1,3-diene
CID 86157820
2-bromo-1,3,5-trimethylcyclohepta-1,3,5-triene
CID 142255845
5,6-dimethyl-2,3-dihydropyridin-2-amine
CID 149220560
2-(2,5-dimethylcyclopenta-1,4-dien-1-yl)aniline
CID 66593869
ethane;2,5,7-trimethylcyclohepta-1,4,6-trien-1-ol
CID 143259643
trimethyl-(3-methyl-6-trimethylsilyl-4H-pyran-2-yl)silane
CID 15877503
(2,3-dimethylcyclopenta-1,3-dien-1-yl)-dimethylsilane
CID 123647541
4-bromo-5-methyl-3H-pyrrole
CID 165017750

Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetramethyl-4H-azepine?
The IUPAC name of 2,3,6,7-tetramethyl-4H-azepine (CID 143143583) is 2,3,6,7-tetramethyl-4H-azepine.
What is the SMILES notation for 2,3,6,7-tetramethyl-4H-azepine?
The canonical SMILES for 2,3,6,7-tetramethyl-4H-azepine is CC1=CCC(C)=C(C)N=C1C.
What is the InChIKey of 2,3,6,7-tetramethyl-4H-azepine?
The InChIKey is LILZKLGAEBGBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-7-5-6-8(2)10(4)11-9(7)3/h5H,6H2,1-4H3.
What are the key properties of 2,3,6,7-tetramethyl-4H-azepine?
2,3,6,7-tetramethyl-4H-azepine has a molecular weight of 149.24 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetramethyl-4H-azepine is sourced from PubChem (CID 143143583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).