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

C16H34N2 — CID 62616762

IUPAC2-[[butyl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCCN(C)CC1CC(CCC)CCC1NC
InChIInChI=1S/C16H34N2/c1-5-7-11-18(4)13-15-12-14(8-6-2)9-10-16(15)17-3/h14-17H,5-13H2,1-4H3
InChIKeyPQENUAPYVAARAJ-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds8

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

2-[[butyl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine (PubChem CID 62616762) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-[[butyl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[butyl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine
PubChem CID62616762
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2-[[butyl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCCN(C)CC1CC(CCC)CCC1NC
InChIInChI=1S/C16H34N2/c1-5-7-11-18(4)13-15-12-14(8-6-2)9-10-16(15)17-3/h14-17H,5-13H2,1-4H3
InChIKeyPQENUAPYVAARAJ-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[butyl(methyl)amino]methyl]-N-methyl-4-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

N-methyl-2-[[methyl(propan-2-yl)amino]methyl]-4-propylcyclohexan-1-amine
CID 55093934
N,4-dimethyl-2-[[methyl(pentyl)amino]methyl]cyclohexan-1-amine
CID 62615388
2-hexyl-N-methyl-4-propylcyclohexan-1-amine
CID 63403681
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 63493665
2-[cyclopropyl-[[2-(methylamino)-5-propylcyclohexyl]methyl]amino]ethanol
CID 55094432
2-[[butyl(cyclopropyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 62610841
N-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine
CID 83159163
2-(2-ethylhexyl)-N-methyl-4-propylcyclohexan-1-amine
CID 55187488
2-[2,2-difluoroethyl-[[2-(methylamino)-5-propylcyclohexyl]methyl]amino]ethanol
CID 107486531
N-methyl-2-(3-methylbutyl)-4-propylcyclohexan-1-amine
CID 63403456
N-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine
CID 62609265
N-methyl-4-propyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 106727245

Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine?
The IUPAC name of 2-[[butyl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine (CID 62616762) is 2-[[butyl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[[butyl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-[[butyl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine is CCCCN(C)CC1CC(CCC)CCC1NC.
What is the InChIKey of 2-[[butyl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine?
The InChIKey is PQENUAPYVAARAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-7-11-18(4)13-15-12-14(8-6-2)9-10-16(15)17-3/h14-17H,5-13H2,1-4H3.
What are the key properties of 2-[[butyl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine?
2-[[butyl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 62616762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).