1-methyl-4-(2-methylpropyl)azepane

C11H23N — CID 123252209

IUPAC1-methyl-4-(2-methylpropyl)azepane
SMILESCC(C)CC1CCCN(C)CC1
InChIInChI=1S/C11H23N/c1-10(2)9-11-5-4-7-12(3)8-6-11/h10-11H,4-9H2,1-3H3
InChIKeyQOYOIJOADFQIPH-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.76
Rot. Bonds2

About 1-methyl-4-(2-methylpropyl)azepane

1-methyl-4-(2-methylpropyl)azepane (PubChem CID 123252209) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 1-methyl-4-(2-methylpropyl)azepane.

Molecular Properties

Compound Name1-methyl-4-(2-methylpropyl)azepane
PubChem CID123252209
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name1-methyl-4-(2-methylpropyl)azepane
SMILESCC(C)CC1CCCN(C)CC1
InChIInChI=1S/C11H23N/c1-10(2)9-11-5-4-7-12(3)8-6-11/h10-11H,4-9H2,1-3H3
InChIKeyQOYOIJOADFQIPH-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-4-(2-methylpropyl)azepane 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

bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
methane;2-methylpropylcyclopentane
CID 161254337
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
(2R)-1-(1-methylpiperidin-4-yl)propan-2-ol
CID 130820619
4-(2,2-dimethylpropyl)-1-methylpiperidine;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine
CID 161134297
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
cyclopentane;iron;2-methylpropylcyclopentane
CID 172726896
1-cyclobutyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine
CID 115717537
(2S)-2-methyl-3-(1-methylpiperidin-4-yl)propan-1-ol
CID 170321854
N,2-dimethyl-1-(1-methylazepan-4-yl)propan-2-amine
CID 84668485
3-(2-methylpropyl)piperidin-1-amine
CID 83529044
[4-(1-methylpiperidin-4-yl)cyclohexyl]-[4-(2-methylpropyl)piperidin-1-yl]methanone
CID 167480031

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylpropyl)azepane?
The IUPAC name of 1-methyl-4-(2-methylpropyl)azepane (CID 123252209) is 1-methyl-4-(2-methylpropyl)azepane.
What is the SMILES notation for 1-methyl-4-(2-methylpropyl)azepane?
The canonical SMILES for 1-methyl-4-(2-methylpropyl)azepane is CC(C)CC1CCCN(C)CC1.
What is the InChIKey of 1-methyl-4-(2-methylpropyl)azepane?
The InChIKey is QOYOIJOADFQIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-10(2)9-11-5-4-7-12(3)8-6-11/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-methyl-4-(2-methylpropyl)azepane?
1-methyl-4-(2-methylpropyl)azepane has a molecular weight of 169.31 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylpropyl)azepane is sourced from PubChem (CID 123252209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).