1-(aminomethyl)-4-methyl-N-(2-methylbutyl)-N-propylcyclohexan-1-amine

C16H34N2 — CID 63487333

IUPAC1-(aminomethyl)-4-methyl-N-(2-methylbutyl)-N-propylcyclohexan-1-amine
SMILESCCCN(CC(C)CC)C1(CN)CCC(C)CC1
InChIInChI=1S/C16H34N2/c1-5-11-18(12-14(3)6-2)16(13-17)9-7-15(4)8-10-16/h14-15H,5-13,17H2,1-4H3
InChIKeyXUFMTTISZVODQB-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.65
Rot. Bonds7

About 1-(aminomethyl)-4-methyl-N-(2-methylbutyl)-N-propylcyclohexan-1-amine

1-(aminomethyl)-4-methyl-N-(2-methylbutyl)-N-propylcyclohexan-1-amine (PubChem CID 63487333) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-(aminomethyl)-4-methyl-N-(2-methylbutyl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-4-methyl-N-(2-methylbutyl)-N-propylcyclohexan-1-amine
PubChem CID63487333
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-(aminomethyl)-4-methyl-N-(2-methylbutyl)-N-propylcyclohexan-1-amine
SMILESCCCN(CC(C)CC)C1(CN)CCC(C)CC1
InChIInChI=1S/C16H34N2/c1-5-11-18(12-14(3)6-2)16(13-17)9-7-15(4)8-10-16/h14-15H,5-13,17H2,1-4H3
InChIKeyXUFMTTISZVODQB-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(aminomethyl)-4-methyl-N-(2-methylbutyl)-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

1-(aminomethyl)-N-(2-methylbutyl)-N-propylcyclohexan-1-amine
CID 62105853
1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcyclohexan-1-amine
CID 79476914
1-(aminomethyl)-N,4-dimethyl-N-(2-methylbutyl)cycloheptan-1-amine
CID 65084874
1-(aminomethyl)-N,4-diethyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 55191563
1-(aminomethyl)-4-ethyl-N-(2-ethylbutyl)-N-propylcyclohexan-1-amine
CID 82926451
1-(aminomethyl)-4-methyl-N-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 115513355
1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcycloheptan-1-amine
CID 79477400
3-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N-methylpropanamide
CID 62326211
1-(aminomethyl)-N-[2-(3-methoxypropoxy)ethyl]-4-methyl-N-propylcyclohexan-1-amine
CID 103178113
4-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N,N-dimethylbutanamide
CID 62005625
1-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)cycloheptan-1-amine
CID 65084668
1-(aminomethyl)-N,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine
CID 43570878

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-methyl-N-(2-methylbutyl)-N-propylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-4-methyl-N-(2-methylbutyl)-N-propylcyclohexan-1-amine (CID 63487333) is 1-(aminomethyl)-4-methyl-N-(2-methylbutyl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-4-methyl-N-(2-methylbutyl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-4-methyl-N-(2-methylbutyl)-N-propylcyclohexan-1-amine is CCCN(CC(C)CC)C1(CN)CCC(C)CC1.
What is the InChIKey of 1-(aminomethyl)-4-methyl-N-(2-methylbutyl)-N-propylcyclohexan-1-amine?
The InChIKey is XUFMTTISZVODQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-11-18(12-14(3)6-2)16(13-17)9-7-15(4)8-10-16/h14-15H,5-13,17H2,1-4H3.
What are the key properties of 1-(aminomethyl)-4-methyl-N-(2-methylbutyl)-N-propylcyclohexan-1-amine?
1-(aminomethyl)-4-methyl-N-(2-methylbutyl)-N-propylcyclohexan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-methyl-N-(2-methylbutyl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 63487333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).