N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline

C19H32N2 — CID 64753254

IUPACN-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline
SMILESCCCCN(c1ccccc1)C1(CN)CC(C)CC(C)C1
InChIInChI=1S/C19H32N2/c1-4-5-11-21(18-9-7-6-8-10-18)19(15-20)13-16(2)12-17(3)14-19/h6-10,16-17H,4-5,11-15,20H2,1-3H3
InChIKeyUCBOOYZWKCLWEI-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.45
Rot. Bonds6

About N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline

N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline (PubChem CID 64753254) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline
PubChem CID64753254
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline
SMILESCCCCN(c1ccccc1)C1(CN)CC(C)CC(C)C1
InChIInChI=1S/C19H32N2/c1-4-5-11-21(18-9-7-6-8-10-18)19(15-20)13-16(2)12-17(3)14-19/h6-10,16-17H,4-5,11-15,20H2,1-3H3
InChIKeyUCBOOYZWKCLWEI-UHFFFAOYSA-N
XLogP4.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline 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 N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline?
The IUPAC name of N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline (CID 64753254) is N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline.
What is the SMILES notation for N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline?
The canonical SMILES for N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline is CCCCN(c1ccccc1)C1(CN)CC(C)CC(C)C1.
What is the InChIKey of N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline?
The InChIKey is UCBOOYZWKCLWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-5-11-21(18-9-7-6-8-10-18)19(15-20)13-16(2)12-17(3)14-19/h6-10,16-17H,4-5,11-15,20H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline?
N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline has a molecular weight of 288.48 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline is sourced from PubChem (CID 64753254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).