(2-pentan-2-yl-4-propylcyclohexyl)methanamine

C15H31N — CID 107889298

IUPAC(2-pentan-2-yl-4-propylcyclohexyl)methanamine
SMILESCCCC1CCC(CN)C(C(C)CCC)C1
InChIInChI=1S/C15H31N/c1-4-6-12(3)15-10-13(7-5-2)8-9-14(15)11-16/h12-15H,4-11,16H2,1-3H3
InChIKeyXRSOOJGTVHPJFP-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.21
Rot. Bonds6

About (2-pentan-2-yl-4-propylcyclohexyl)methanamine

(2-pentan-2-yl-4-propylcyclohexyl)methanamine (PubChem CID 107889298) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is (2-pentan-2-yl-4-propylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2-pentan-2-yl-4-propylcyclohexyl)methanamine
PubChem CID107889298
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name(2-pentan-2-yl-4-propylcyclohexyl)methanamine
SMILESCCCC1CCC(CN)C(C(C)CCC)C1
InChIInChI=1S/C15H31N/c1-4-6-12(3)15-10-13(7-5-2)8-9-14(15)11-16/h12-15H,4-11,16H2,1-3H3
InChIKeyXRSOOJGTVHPJFP-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2-pentan-2-yl-4-propylcyclohexyl)methanamine 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-(4-methylpentan-2-yl)-4-propylcyclohexyl]methanamine
CID 114284991
(4-methyl-2-pentan-2-ylcyclohexyl)methanamine
CID 107889294
2-pentan-2-yl-4-propylcyclohexan-1-ol
CID 107885956
2-(aminomethyl)-5-propylcyclohexan-1-amine
CID 62070306
[2-(2,4-dimethylpentyl)-4-propylcyclohexyl]methanamine
CID 114201490
2-pentan-2-yl-4-propylcyclohexane-1-carboxylic acid
CID 107889260
(3-propylcyclopentyl)methanamine
CID 83635339
[2-(3-methylbutylsulfinyl)-4-propylcyclohexyl]methanamine
CID 107767479
[2-(3-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine
CID 107767418
3-[2-[(2S)-pentan-2-yl]cyclopropyl]propan-1-amine
CID 139513518
2-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-5-propylcyclohexan-1-amine
CID 63404191
[2-(2-methylpropylsulfinyl)-4-propylcyclohexyl]methanamine
CID 81328958

Frequently Asked Questions

What is the IUPAC name of (2-pentan-2-yl-4-propylcyclohexyl)methanamine?
The IUPAC name of (2-pentan-2-yl-4-propylcyclohexyl)methanamine (CID 107889298) is (2-pentan-2-yl-4-propylcyclohexyl)methanamine.
What is the SMILES notation for (2-pentan-2-yl-4-propylcyclohexyl)methanamine?
The canonical SMILES for (2-pentan-2-yl-4-propylcyclohexyl)methanamine is CCCC1CCC(CN)C(C(C)CCC)C1.
What is the InChIKey of (2-pentan-2-yl-4-propylcyclohexyl)methanamine?
The InChIKey is XRSOOJGTVHPJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-4-6-12(3)15-10-13(7-5-2)8-9-14(15)11-16/h12-15H,4-11,16H2,1-3H3.
What are the key properties of (2-pentan-2-yl-4-propylcyclohexyl)methanamine?
(2-pentan-2-yl-4-propylcyclohexyl)methanamine has a molecular weight of 225.42 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pentan-2-yl-4-propylcyclohexyl)methanamine is sourced from PubChem (CID 107889298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).