2-methyl-N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine

C19H39N — CID 107889423

IUPAC2-methyl-N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine
SMILESCCCC(C)C1CC(C(C)C)CCC1CNCC(C)C
InChIInChI=1S/C19H39N/c1-7-8-16(6)19-11-17(15(4)5)9-10-18(19)13-20-12-14(2)3/h14-20H,7-13H2,1-6H3
InChIKeyDNKHSLZDRRLODK-UHFFFAOYSA-N
MW281.53 g/mol
LogP5.36
Rot. Bonds8

About 2-methyl-N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine

2-methyl-N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine (PubChem CID 107889423) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is 2-methyl-N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine
PubChem CID107889423
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name2-methyl-N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine
SMILESCCCC(C)C1CC(C(C)C)CCC1CNCC(C)C
InChIInChI=1S/C19H39N/c1-7-8-16(6)19-11-17(15(4)5)9-10-18(19)13-20-12-14(2)3/h14-20H,7-13H2,1-6H3
InChIKeyDNKHSLZDRRLODK-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]propan-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-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
CID 107889421
2-methyl-N-[(2-pentyl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 81030526
N-[[2-(4-methoxybutan-2-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 116500524
N-[(2-pentan-2-ylcyclobutyl)methyl]propan-1-amine
CID 107889334
N-[(2-butan-2-ylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 81024946
N-[[2-(2-methylpropyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 81029701
N-[(2-pentan-3-yl-4-propan-2-ylcyclohexyl)methyl]propan-2-amine
CID 81030520
N-[[2-(4-bromothiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81026302
2-methyl-N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 81026188
2-methyl-N-[(2-methylcyclopropyl)methyl]propan-1-amine
CID 60985078
(4-methyl-2-pentan-2-ylcyclohexyl)methanamine
CID 107889294
2-methyl-N-[[2-(propan-2-yloxymethyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81029546

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine (CID 107889423) is 2-methyl-N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine is CCCC(C)C1CC(C(C)C)CCC1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine?
The InChIKey is DNKHSLZDRRLODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-7-8-16(6)19-11-17(15(4)5)9-10-18(19)13-20-12-14(2)3/h14-20H,7-13H2,1-6H3.
What are the key properties of 2-methyl-N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine?
2-methyl-N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine has a molecular weight of 281.53 g/mol, XLogP of 5.36, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 107889423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).