2-[[cyclopropyl(3-methylbutyl)amino]methyl]-4-methylcyclohexan-1-amine

C16H32N2 — CID 78991236

IUPAC2-[[cyclopropyl(3-methylbutyl)amino]methyl]-4-methylcyclohexan-1-amine
SMILESCC(C)CCN(CC1CC(C)CCC1N)C1CC1
InChIInChI=1S/C16H32N2/c1-12(2)8-9-18(15-5-6-15)11-14-10-13(3)4-7-16(14)17/h12-16H,4-11,17H2,1-3H3
InChIKeyVHDVJFUIYABCRV-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.26
Rot. Bonds6

About 2-[[cyclopropyl(3-methylbutyl)amino]methyl]-4-methylcyclohexan-1-amine

2-[[cyclopropyl(3-methylbutyl)amino]methyl]-4-methylcyclohexan-1-amine (PubChem CID 78991236) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-[[cyclopropyl(3-methylbutyl)amino]methyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[cyclopropyl(3-methylbutyl)amino]methyl]-4-methylcyclohexan-1-amine
PubChem CID78991236
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-[[cyclopropyl(3-methylbutyl)amino]methyl]-4-methylcyclohexan-1-amine
SMILESCC(C)CCN(CC1CC(C)CCC1N)C1CC1
InChIInChI=1S/C16H32N2/c1-12(2)8-9-18(15-5-6-15)11-14-10-13(3)4-7-16(14)17/h12-16H,4-11,17H2,1-3H3
InChIKeyVHDVJFUIYABCRV-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[cyclopropyl(3-methylbutyl)amino]methyl]-4-methylcyclohexan-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-[[cyclopropyl(3-methylbutyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 78991237
4-[[cyclopropyl(3-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627783
4-methyl-2-(2-methylpropyl)cyclohexan-1-amine
CID 55134788
2-[[cyclopropyl(propyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 55093550
2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-methylcyclopentan-1-amine
CID 78991239
2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 78991235
2-[[cyclopropyl(3-methylbutyl)amino]methyl]-3,5-dimethylcyclohexan-1-one
CID 78999204
1-N-cyclopropyl-1-N-(3-methylbutyl)pentane-1,2-diamine
CID 78974349
2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 62610271
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 78973832
2-[[cyclopropyl(propyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 62615565
1-N-cyclopropyl-1-N-(3-methylbutyl)butane-1,2-diamine
CID 78974367

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(3-methylbutyl)amino]methyl]-4-methylcyclohexan-1-amine?
The IUPAC name of 2-[[cyclopropyl(3-methylbutyl)amino]methyl]-4-methylcyclohexan-1-amine (CID 78991236) is 2-[[cyclopropyl(3-methylbutyl)amino]methyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[[cyclopropyl(3-methylbutyl)amino]methyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-[[cyclopropyl(3-methylbutyl)amino]methyl]-4-methylcyclohexan-1-amine is CC(C)CCN(CC1CC(C)CCC1N)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(3-methylbutyl)amino]methyl]-4-methylcyclohexan-1-amine?
The InChIKey is VHDVJFUIYABCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-12(2)8-9-18(15-5-6-15)11-14-10-13(3)4-7-16(14)17/h12-16H,4-11,17H2,1-3H3.
What are the key properties of 2-[[cyclopropyl(3-methylbutyl)amino]methyl]-4-methylcyclohexan-1-amine?
2-[[cyclopropyl(3-methylbutyl)amino]methyl]-4-methylcyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(3-methylbutyl)amino]methyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 78991236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).