2-(azepan-4-yl)-N,N-dimethylethanamine

C10H22N2 — CID 67718183

IUPAC2-(azepan-4-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1CCCNCC1
InChIInChI=1S/C10H22N2/c1-12(2)9-6-10-4-3-7-11-8-5-10/h10-11H,3-9H2,1-2H3
InChIKeyFNPSZGWMFCOFBX-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.33
Rot. Bonds3

About 2-(azepan-4-yl)-N,N-dimethylethanamine

2-(azepan-4-yl)-N,N-dimethylethanamine (PubChem CID 67718183) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-(azepan-4-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(azepan-4-yl)-N,N-dimethylethanamine
PubChem CID67718183
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name2-(azepan-4-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1CCCNCC1
InChIInChI=1S/C10H22N2/c1-12(2)9-6-10-4-3-7-11-8-5-10/h10-11H,3-9H2,1-2H3
InChIKeyFNPSZGWMFCOFBX-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(azepan-4-yl)-N,N-dimethylethanamine 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-(azepan-4-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(azepan-4-yl)-N,N-dimethylethanamine (CID 67718183) is 2-(azepan-4-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(azepan-4-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(azepan-4-yl)-N,N-dimethylethanamine is CN(C)CCC1CCCNCC1.
What is the InChIKey of 2-(azepan-4-yl)-N,N-dimethylethanamine?
The InChIKey is FNPSZGWMFCOFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-12(2)9-6-10-4-3-7-11-8-5-10/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-(azepan-4-yl)-N,N-dimethylethanamine?
2-(azepan-4-yl)-N,N-dimethylethanamine has a molecular weight of 170.30 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-4-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 67718183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).