3,6,7-trimethyl-4,5-dihydro-3H-azepine

C9H15N — CID 91279231

IUPAC3,6,7-trimethyl-4,5-dihydro-3H-azepine
SMILESCC1=C(C)N=CC(C)CC1
InChIInChI=1S/C9H15N/c1-7-4-5-8(2)9(3)10-6-7/h6-7H,4-5H2,1-3H3
InChIKeyULFIQDBIOQYTRB-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.78
Rot. Bonds

About 3,6,7-trimethyl-4,5-dihydro-3H-azepine

3,6,7-trimethyl-4,5-dihydro-3H-azepine (PubChem CID 91279231) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3,6,7-trimethyl-4,5-dihydro-3H-azepine.

Molecular Properties

Compound Name3,6,7-trimethyl-4,5-dihydro-3H-azepine
PubChem CID91279231
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3,6,7-trimethyl-4,5-dihydro-3H-azepine
SMILESCC1=C(C)N=CC(C)CC1
InChIInChI=1S/C9H15N/c1-7-4-5-8(2)9(3)10-6-7/h6-7H,4-5H2,1-3H3
InChIKeyULFIQDBIOQYTRB-UHFFFAOYSA-N
XLogP2.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,5,6-Trimethyl-3,4-dihydropyridine
CID 88976975
4,5-di(propan-2-yl)-3H-pyrrole
CID 22891059
3,5-Dimethyl-6-octyl-3,4-dihydropyridine
CID 54387990
5-methyl-4-propan-2-yl-3H-pyrrole
CID 58525265
3,5-dimethyl-4-propan-2-yl-3H-pyrrole
CID 69174205
3,5-dimethyl-4-propyl-3H-pyrrole
CID 69174213
4-cyclopropyl-3,5-dimethyl-3H-pyrrole
CID 69174234
6,7-Dimethyl-2-azabicyclo[3.2.0]hepta-1(5),2-diene
CID 88563171
6-Methyl-2-azabicyclo[3.2.0]hepta-1(5),2-diene
CID 89263276
7-Methyl-2-azabicyclo[3.2.0]hepta-1(5),2-diene
CID 89263292
N-(2,4-dimethylcyclobuten-1-yl)ethanimine
CID 89263311
5-Methyl-6-propan-2-yl-3,4-dihydropyridine
CID 91423818

Frequently Asked Questions

What is the IUPAC name of 3,6,7-trimethyl-4,5-dihydro-3H-azepine?
The IUPAC name of 3,6,7-trimethyl-4,5-dihydro-3H-azepine (CID 91279231) is 3,6,7-trimethyl-4,5-dihydro-3H-azepine.
What is the SMILES notation for 3,6,7-trimethyl-4,5-dihydro-3H-azepine?
The canonical SMILES for 3,6,7-trimethyl-4,5-dihydro-3H-azepine is CC1=C(C)N=CC(C)CC1.
What is the InChIKey of 3,6,7-trimethyl-4,5-dihydro-3H-azepine?
The InChIKey is ULFIQDBIOQYTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-7-4-5-8(2)9(3)10-6-7/h6-7H,4-5H2,1-3H3.
What are the key properties of 3,6,7-trimethyl-4,5-dihydro-3H-azepine?
3,6,7-trimethyl-4,5-dihydro-3H-azepine has a molecular weight of 137.23 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7-trimethyl-4,5-dihydro-3H-azepine is sourced from PubChem (CID 91279231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).