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

C20H41N — CID 107897307

IUPACN-[(4-butyl-1-pentan-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine
SMILESCCCCC1CCC(CNC(C)(C)C)(C(C)CCC)CC1
InChIInChI=1S/C20H41N/c1-7-9-11-18-12-14-20(15-13-18,17(3)10-8-2)16-21-19(4,5)6/h17-18,21H,7-16H2,1-6H3
InChIKeyGXXJKGSMPAZJTI-UHFFFAOYSA-N
MW295.55 g/mol
LogP6.18
Rot. Bonds8

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

N-[(4-butyl-1-pentan-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine (PubChem CID 107897307) has the molecular formula C20H41N and a molecular weight of 295.55 g/mol. Its IUPAC name is N-[(4-butyl-1-pentan-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-butyl-1-pentan-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine
PubChem CID107897307
Molecular FormulaC20H41N
Molecular Weight295.55 g/mol
Exact Mass295.32
IUPAC NameN-[(4-butyl-1-pentan-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine
SMILESCCCCC1CCC(CNC(C)(C)C)(C(C)CCC)CC1
InChIInChI=1S/C20H41N/c1-7-9-11-18-12-14-20(15-13-18,17(3)10-8-2)16-21-19(4,5)6/h17-18,21H,7-16H2,1-6H3
InChIKeyGXXJKGSMPAZJTI-UHFFFAOYSA-N
XLogP6.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.55
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-butyl-1-pentan-2-ylcyclohexyl)methyl]-2-methylpropan-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-[(4-butyl-1-pentan-2-ylcyclohexyl)methyl]propan-1-amine
CID 107897304
2-methyl-N-[(1-pentan-2-ylcyclobutyl)methyl]propan-2-amine
CID 107897482
4-butyl-1-(chloromethyl)-1-pentan-2-ylcyclohexane
CID 107893115
N-[[4-butyl-1-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63521313
N-[(4-butyl-1-methylcyclohexyl)methyl]-2-methylpropan-2-amine
CID 63521315
N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 103984479
N-[[4-butyl-1-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
CID 63523282
1-[4-butyl-1-(2-methoxypropyl)cyclohexyl]-N-methylmethanamine
CID 113382951
N-[(1-pentan-2-ylcyclopentyl)methyl]propan-1-amine
CID 107897327
1-(bromomethyl)-4-tert-butyl-1-pentan-2-ylcyclohexane
CID 107893201
4-butyl-1-(2-methylpentyl)cyclohexane-1-carboxylic acid
CID 63402944
N-[[1-(2-ethylhexyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65195011

Frequently Asked Questions

What is the IUPAC name of N-[(4-butyl-1-pentan-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(4-butyl-1-pentan-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine (CID 107897307) is N-[(4-butyl-1-pentan-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(4-butyl-1-pentan-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(4-butyl-1-pentan-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine is CCCCC1CCC(CNC(C)(C)C)(C(C)CCC)CC1.
What is the InChIKey of N-[(4-butyl-1-pentan-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine?
The InChIKey is GXXJKGSMPAZJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N/c1-7-9-11-18-12-14-20(15-13-18,17(3)10-8-2)16-21-19(4,5)6/h17-18,21H,7-16H2,1-6H3.
What are the key properties of N-[(4-butyl-1-pentan-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine?
N-[(4-butyl-1-pentan-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine has a molecular weight of 295.55 g/mol, XLogP of 6.18, 8 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]-2-methylpropan-2-amine is sourced from PubChem (CID 107897307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).