4-(aminomethyl)-N-butan-2-yl-4-methylcyclohexan-1-amine

C12H26N2 — CID 165469452

IUPAC4-(aminomethyl)-N-butan-2-yl-4-methylcyclohexan-1-amine
SMILESCCC(C)NC1CCC(C)(CN)CC1
InChIInChI=1S/C12H26N2/c1-4-10(2)14-11-5-7-12(3,9-13)8-6-11/h10-11,14H,4-9,13H2,1-3H3
InChIKeyVMHNXMKKVWWLIP-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.28
Rot. Bonds4

About 4-(aminomethyl)-N-butan-2-yl-4-methylcyclohexan-1-amine

4-(aminomethyl)-N-butan-2-yl-4-methylcyclohexan-1-amine (PubChem CID 165469452) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-butan-2-yl-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-butan-2-yl-4-methylcyclohexan-1-amine
PubChem CID165469452
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name4-(aminomethyl)-N-butan-2-yl-4-methylcyclohexan-1-amine
SMILESCCC(C)NC1CCC(C)(CN)CC1
InChIInChI=1S/C12H26N2/c1-4-10(2)14-11-5-7-12(3,9-13)8-6-11/h10-11,14H,4-9,13H2,1-3H3
InChIKeyVMHNXMKKVWWLIP-UHFFFAOYSA-N
XLogP2.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(aminomethyl)-N-butan-2-yl-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

N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine
CID 62702797
N-butan-2-yl-1-ethylpiperidin-4-amine
CID 43177306
2-[[4-(aminomethyl)-4-methylcyclohexyl]amino]ethanol
CID 165469506
N-butan-2-ylthiepan-4-amine
CID 164646547
[4-(aminomethyl)-4-methylcyclohexyl]methanamine
CID 123492077
N-butan-2-ylcyclopent-3-en-1-amine
CID 115728477
1-(aminomethyl)-N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine
CID 65385184
N,3-dimethyl-3-(2-methylbutyl)cyclopentan-1-amine
CID 116539017
(2R)-2-[(4,4-dimethylcycloheptyl)amino]propan-1-ol
CID 114985646
N-pentan-2-ylspiro[4.5]decan-8-amine
CID 114817029
N-(4-methylhexan-2-yl)cyclopropanamine
CID 103439280
4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine
CID 65083653

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-butan-2-yl-4-methylcyclohexan-1-amine?
The IUPAC name of 4-(aminomethyl)-N-butan-2-yl-4-methylcyclohexan-1-amine (CID 165469452) is 4-(aminomethyl)-N-butan-2-yl-4-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(aminomethyl)-N-butan-2-yl-4-methylcyclohexan-1-amine?
The canonical SMILES for 4-(aminomethyl)-N-butan-2-yl-4-methylcyclohexan-1-amine is CCC(C)NC1CCC(C)(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-butan-2-yl-4-methylcyclohexan-1-amine?
The InChIKey is VMHNXMKKVWWLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-10(2)14-11-5-7-12(3,9-13)8-6-11/h10-11,14H,4-9,13H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-butan-2-yl-4-methylcyclohexan-1-amine?
4-(aminomethyl)-N-butan-2-yl-4-methylcyclohexan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-butan-2-yl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 165469452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).