3-(azepan-4-ylmethyl)-N,N-dimethylaniline

C15H24N2 — CID 84696125

IUPAC3-(azepan-4-ylmethyl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(CC2CCCNCC2)c1
InChIInChI=1S/C15H24N2/c1-17(2)15-7-3-5-14(12-15)11-13-6-4-9-16-10-8-13/h3,5,7,12-13,16H,4,6,8-11H2,1-2H3
InChIKeyVYGASLYNOGSTRR-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.68
Rot. Bonds3

About 3-(azepan-4-ylmethyl)-N,N-dimethylaniline

3-(azepan-4-ylmethyl)-N,N-dimethylaniline (PubChem CID 84696125) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-(azepan-4-ylmethyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(azepan-4-ylmethyl)-N,N-dimethylaniline
PubChem CID84696125
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3-(azepan-4-ylmethyl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(CC2CCCNCC2)c1
InChIInChI=1S/C15H24N2/c1-17(2)15-7-3-5-14(12-15)11-13-6-4-9-16-10-8-13/h3,5,7,12-13,16H,4,6,8-11H2,1-2H3
InChIKeyVYGASLYNOGSTRR-UHFFFAOYSA-N
XLogP2.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(azepan-4-ylmethyl)-N,N-dimethylaniline 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

3-(azepan-4-ylmethyl)phenol
CID 83261812
N,N-dimethyl-4-(piperidin-4-ylmethyl)aniline
CID 15296936
1-methyl-1-[3-(piperidin-3-ylmethyl)phenyl]urea
CID 117371572
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
4-[(3,4-dichlorophenyl)methyl]azepane
CID 83261164
3-(piperidin-3-ylmethyl)phenol
CID 57155980
4-[(3-methylsulfonylphenyl)methyl]piperidine
CID 84804489
3-[(3-propan-2-ylphenyl)methyl]piperidine
CID 84785652
6-(azepan-4-ylmethyl)quinoline
CID 155906957
3-[(3-methylphenyl)methyl]pyrrolidine
CID 55252909
2-chloro-N,N-dimethyl-5-(piperidin-4-ylmethyl)aniline
CID 117117892

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-4-ylmethyl)-N,N-dimethylaniline?
The IUPAC name of 3-(azepan-4-ylmethyl)-N,N-dimethylaniline (CID 84696125) is 3-(azepan-4-ylmethyl)-N,N-dimethylaniline.
What is the SMILES notation for 3-(azepan-4-ylmethyl)-N,N-dimethylaniline?
The canonical SMILES for 3-(azepan-4-ylmethyl)-N,N-dimethylaniline is CN(C)c1cccc(CC2CCCNCC2)c1.
What is the InChIKey of 3-(azepan-4-ylmethyl)-N,N-dimethylaniline?
The InChIKey is VYGASLYNOGSTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-17(2)15-7-3-5-14(12-15)11-13-6-4-9-16-10-8-13/h3,5,7,12-13,16H,4,6,8-11H2,1-2H3.
What are the key properties of 3-(azepan-4-ylmethyl)-N,N-dimethylaniline?
3-(azepan-4-ylmethyl)-N,N-dimethylaniline has a molecular weight of 232.37 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-4-ylmethyl)-N,N-dimethylaniline is sourced from PubChem (CID 84696125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).