2-cyclopropyl-2-(2-methylpentyl)azepane

C15H29N — CID 79116467

IUPAC2-cyclopropyl-2-(2-methylpentyl)azepane
SMILESCCCC(C)CC1(C2CC2)CCCCCN1
InChIInChI=1S/C15H29N/c1-3-7-13(2)12-15(14-8-9-14)10-5-4-6-11-16-15/h13-14,16H,3-12H2,1-2H3
InChIKeyVSHYTKPNVDXWQF-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.13
Rot. Bonds5

About 2-cyclopropyl-2-(2-methylpentyl)azepane

2-cyclopropyl-2-(2-methylpentyl)azepane (PubChem CID 79116467) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2-methylpentyl)azepane.

Molecular Properties

Compound Name2-cyclopropyl-2-(2-methylpentyl)azepane
PubChem CID79116467
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name2-cyclopropyl-2-(2-methylpentyl)azepane
SMILESCCCC(C)CC1(C2CC2)CCCCCN1
InChIInChI=1S/C15H29N/c1-3-7-13(2)12-15(14-8-9-14)10-5-4-6-11-16-15/h13-14,16H,3-12H2,1-2H3
InChIKeyVSHYTKPNVDXWQF-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-cyclopropyl-2-(2-methylpentyl)azepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2-methylpentyl)azepane?
The IUPAC name of 2-cyclopropyl-2-(2-methylpentyl)azepane (CID 79116467) is 2-cyclopropyl-2-(2-methylpentyl)azepane.
What is the SMILES notation for 2-cyclopropyl-2-(2-methylpentyl)azepane?
The canonical SMILES for 2-cyclopropyl-2-(2-methylpentyl)azepane is CCCC(C)CC1(C2CC2)CCCCCN1.
What is the InChIKey of 2-cyclopropyl-2-(2-methylpentyl)azepane?
The InChIKey is VSHYTKPNVDXWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-3-7-13(2)12-15(14-8-9-14)10-5-4-6-11-16-15/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-(2-methylpentyl)azepane?
2-cyclopropyl-2-(2-methylpentyl)azepane has a molecular weight of 223.40 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2-methylpentyl)azepane is sourced from PubChem (CID 79116467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).