2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine

C19H32N2 — CID 63483230

IUPAC2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1CN(C)Cc1ccccc1
InChIInChI=1S/C19H32N2/c1-4-12-20-19-11-10-16(2)13-18(19)15-21(3)14-17-8-6-5-7-9-17/h5-9,16,18-20H,4,10-15H2,1-3H3
InChIKeyGRMBGOWUFXPQTJ-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.92
Rot. Bonds7

About 2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine

2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine (PubChem CID 63483230) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine
PubChem CID63483230
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1CN(C)Cc1ccccc1
InChIInChI=1S/C19H32N2/c1-4-12-20-19-11-10-16(2)13-18(19)15-21(3)14-17-8-6-5-7-9-17/h5-9,16,18-20H,4,10-15H2,1-3H3
InChIKeyGRMBGOWUFXPQTJ-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine 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

2-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 63494221
4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propylcyclohexan-1-amine
CID 63837883
N,1-dimethyl-N-[[5-methyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-amine
CID 62616944
2-[(3-fluorophenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63403748
4-methyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63494785
2-[[(3-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
CID 62609650
2-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615844
4-methyl-2-[[methyl(pentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63493449
4-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63495788
2-N-benzyl-2-N-methyl-1-N-propylcyclooctane-1,2-diamine
CID 63466024
2-benzylsulfonyl-4-methyl-N-propylcyclohexan-1-amine
CID 64645166
N-methyl-N-[[5-methyl-2-(propylamino)cyclohexyl]methyl]thiolan-3-amine
CID 62616093

Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine (CID 63483230) is 2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine is CCCNC1CCC(C)CC1CN(C)Cc1ccccc1.
What is the InChIKey of 2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine?
The InChIKey is GRMBGOWUFXPQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-12-20-19-11-10-16(2)13-18(19)15-21(3)14-17-8-6-5-7-9-17/h5-9,16,18-20H,4,10-15H2,1-3H3.
What are the key properties of 2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine?
2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 63483230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).