2,5-dimethyl-3,4-dihydro-2H-azepine

C8H13N — CID 91410236

IUPAC2,5-dimethyl-3,4-dihydro-2H-azepine
SMILESCC1=CC=NC(C)CC1
InChIInChI=1S/C8H13N/c1-7-3-4-8(2)9-6-5-7/h5-6,8H,3-4H2,1-2H3
InChIKeyZBHODXBBBIBIRZ-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.19
Rot. Bonds

About 2,5-dimethyl-3,4-dihydro-2H-azepine

2,5-dimethyl-3,4-dihydro-2H-azepine (PubChem CID 91410236) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2,5-dimethyl-3,4-dihydro-2H-azepine.

Molecular Properties

Compound Name2,5-dimethyl-3,4-dihydro-2H-azepine
PubChem CID91410236
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2,5-dimethyl-3,4-dihydro-2H-azepine
SMILESCC1=CC=NC(C)CC1
InChIInChI=1S/C8H13N/c1-7-3-4-8(2)9-6-5-7/h5-6,8H,3-4H2,1-2H3
InChIKeyZBHODXBBBIBIRZ-UHFFFAOYSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-methyl-2,3-dihydropyridine
CID 90817887
5-bromo-1-methylcyclohepta-1,3-diene
CID 143519480
1,4-dimethyl(113C)cyclohexene
CID 11018826
1-(2,4-dimethyl-3,4-dihydro-2H-azepin-5-yl)ethanone;ethane
CID 144788850
2,4-dimethyl-3H-pyridazine
CID 123881185
2-methyl-5-(4-methylphenyl)-3,4-dihydro-2H-pyrrole
CID 102142891
(2S)-2-methyl-2,3,4,5-tetrahydropyridine
CID 154517847
(4R)-1,3-dimethyl-4-prop-1-en-2-ylcyclohexene
CID 167459403
2,3-dimethyl-3,4-dihydro-2H-azepine-5-carboxylic acid
CID 146439704
(1E)-1,5,10-trimethylcyclododeca-1,3,5-triene
CID 173082678
1-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene
CID 123323176
1-(4-methylcyclohex-3-en-1-yl)propane-1,2-dione
CID 130027299

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3,4-dihydro-2H-azepine?
The IUPAC name of 2,5-dimethyl-3,4-dihydro-2H-azepine (CID 91410236) is 2,5-dimethyl-3,4-dihydro-2H-azepine.
What is the SMILES notation for 2,5-dimethyl-3,4-dihydro-2H-azepine?
The canonical SMILES for 2,5-dimethyl-3,4-dihydro-2H-azepine is CC1=CC=NC(C)CC1.
What is the InChIKey of 2,5-dimethyl-3,4-dihydro-2H-azepine?
The InChIKey is ZBHODXBBBIBIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7-3-4-8(2)9-6-5-7/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 2,5-dimethyl-3,4-dihydro-2H-azepine?
2,5-dimethyl-3,4-dihydro-2H-azepine has a molecular weight of 123.20 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3,4-dihydro-2H-azepine is sourced from PubChem (CID 91410236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).