N-[(2-pentan-3-yl-4-propan-2-ylcyclohexyl)methyl]propan-2-amine

C18H37N — CID 81030520

IUPACN-[(2-pentan-3-yl-4-propan-2-ylcyclohexyl)methyl]propan-2-amine
SMILESCCC(CC)C1CC(C(C)C)CCC1CNC(C)C
InChIInChI=1S/C18H37N/c1-7-15(8-2)18-11-16(13(3)4)9-10-17(18)12-19-14(5)6/h13-19H,7-12H2,1-6H3
InChIKeyACDSJBBCDKLUBL-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.11
Rot. Bonds7

About N-[(2-pentan-3-yl-4-propan-2-ylcyclohexyl)methyl]propan-2-amine

N-[(2-pentan-3-yl-4-propan-2-ylcyclohexyl)methyl]propan-2-amine (PubChem CID 81030520) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is N-[(2-pentan-3-yl-4-propan-2-ylcyclohexyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-pentan-3-yl-4-propan-2-ylcyclohexyl)methyl]propan-2-amine
PubChem CID81030520
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC NameN-[(2-pentan-3-yl-4-propan-2-ylcyclohexyl)methyl]propan-2-amine
SMILESCCC(CC)C1CC(C(C)C)CCC1CNC(C)C
InChIInChI=1S/C18H37N/c1-7-15(8-2)18-11-16(13(3)4)9-10-17(18)12-19-14(5)6/h13-19H,7-12H2,1-6H3
InChIKeyACDSJBBCDKLUBL-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2-pentan-3-yl-4-propan-2-ylcyclohexyl)methyl]propan-2-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-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81030971
N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
CID 107889421
2-methyl-N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 107889423
N-[(2-pentan-3-yloxolan-3-yl)methyl]propan-2-amine
CID 79368733
N-[[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81025338
N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81030590
N-[[2-[(4-bromothiophen-2-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81025143
N-[(2-ethylcyclopentyl)methyl]propan-2-amine
CID 58787055
N-[[2-(4-methoxybutan-2-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 116500524
N-methyl-1-(4-propan-2-yl-2-propylcyclohexyl)methanamine
CID 81028967
1-ethyl-2-methyl-4-propan-2-ylcyclohexane
CID 90923816
2-butan-2-yl-4-propan-2-ylcyclohexan-1-ol
CID 79423802

Frequently Asked Questions

What is the IUPAC name of N-[(2-pentan-3-yl-4-propan-2-ylcyclohexyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-pentan-3-yl-4-propan-2-ylcyclohexyl)methyl]propan-2-amine (CID 81030520) is N-[(2-pentan-3-yl-4-propan-2-ylcyclohexyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-pentan-3-yl-4-propan-2-ylcyclohexyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-pentan-3-yl-4-propan-2-ylcyclohexyl)methyl]propan-2-amine is CCC(CC)C1CC(C(C)C)CCC1CNC(C)C.
What is the InChIKey of N-[(2-pentan-3-yl-4-propan-2-ylcyclohexyl)methyl]propan-2-amine?
The InChIKey is ACDSJBBCDKLUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-7-15(8-2)18-11-16(13(3)4)9-10-17(18)12-19-14(5)6/h13-19H,7-12H2,1-6H3.
What are the key properties of N-[(2-pentan-3-yl-4-propan-2-ylcyclohexyl)methyl]propan-2-amine?
N-[(2-pentan-3-yl-4-propan-2-ylcyclohexyl)methyl]propan-2-amine has a molecular weight of 267.50 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pentan-3-yl-4-propan-2-ylcyclohexyl)methyl]propan-2-amine is sourced from PubChem (CID 81030520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).