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

C19H39N — CID 107897304

IUPACN-[(4-butyl-1-pentan-2-ylcyclohexyl)methyl]propan-1-amine
SMILESCCCCC1CCC(CNCCC)(C(C)CCC)CC1
InChIInChI=1S/C19H39N/c1-5-8-10-18-11-13-19(14-12-18,16-20-15-7-3)17(4)9-6-2/h17-18,20H,5-16H2,1-4H3
InChIKeyDEEHMLLEKVNVQF-UHFFFAOYSA-N
MW281.53 g/mol
LogP5.79
Rot. Bonds10

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

N-[(4-butyl-1-pentan-2-ylcyclohexyl)methyl]propan-1-amine (PubChem CID 107897304) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is N-[(4-butyl-1-pentan-2-ylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-butyl-1-pentan-2-ylcyclohexyl)methyl]propan-1-amine
PubChem CID107897304
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC NameN-[(4-butyl-1-pentan-2-ylcyclohexyl)methyl]propan-1-amine
SMILESCCCCC1CCC(CNCCC)(C(C)CCC)CC1
InChIInChI=1S/C19H39N/c1-5-8-10-18-11-13-19(14-12-18,16-20-15-7-3)17(4)9-6-2/h17-18,20H,5-16H2,1-4H3
InChIKeyDEEHMLLEKVNVQF-UHFFFAOYSA-N
XLogP5.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(4-butyl-1-pentan-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-[(4-butyl-1-pentan-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine
CID 107897307
4-butyl-1-(chloromethyl)-1-pentan-2-ylcyclohexane
CID 107893115
N-[(1-pentan-2-ylcyclopentyl)methyl]propan-1-amine
CID 107897327
N-[[4-butyl-1-(2-methoxyethyl)cyclohexyl]methyl]propan-1-amine
CID 63522013
N-[(1-benzyl-4-butylcyclohexyl)methyl]propan-1-amine
CID 63522017
N-[[4-butyl-1-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
CID 63523282
2-methyl-N-[(1-pentan-2-ylcyclobutyl)methyl]propan-2-amine
CID 107897482
N-[[4-butyl-1-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63521313
N-[(1,4-dibutylcyclohexyl)methyl]ethanamine
CID 63523259
N-[[4-butyl-1-(furan-3-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 83178610
N-[[4-ethyl-1-(4-methylpentoxy)cyclohexyl]methyl]propan-1-amine
CID 63475716
1-[4-butyl-1-(2-methoxypropyl)cyclohexyl]-N-methylmethanamine
CID 113382951

Frequently Asked Questions

What is the IUPAC name of N-[(4-butyl-1-pentan-2-ylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-butyl-1-pentan-2-ylcyclohexyl)methyl]propan-1-amine (CID 107897304) is N-[(4-butyl-1-pentan-2-ylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-butyl-1-pentan-2-ylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-butyl-1-pentan-2-ylcyclohexyl)methyl]propan-1-amine is CCCCC1CCC(CNCCC)(C(C)CCC)CC1.
What is the InChIKey of N-[(4-butyl-1-pentan-2-ylcyclohexyl)methyl]propan-1-amine?
The InChIKey is DEEHMLLEKVNVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-5-8-10-18-11-13-19(14-12-18,16-20-15-7-3)17(4)9-6-2/h17-18,20H,5-16H2,1-4H3.
What are the key properties of N-[(4-butyl-1-pentan-2-ylcyclohexyl)methyl]propan-1-amine?
N-[(4-butyl-1-pentan-2-ylcyclohexyl)methyl]propan-1-amine has a molecular weight of 281.53 g/mol, XLogP of 5.79, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butyl-1-pentan-2-ylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 107897304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).