N-[[4-butyl-1-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine

C20H41N — CID 63521313

IUPACN-[[4-butyl-1-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCCCC1CCC(CCC(C)C)(CNC(C)(C)C)CC1
InChIInChI=1S/C20H41N/c1-7-8-9-18-11-14-20(15-12-18,13-10-17(2)3)16-21-19(4,5)6/h17-18,21H,7-16H2,1-6H3
InChIKeyPWGMPMAUHREQGO-UHFFFAOYSA-N
MW295.56 g/mol
LogP6.18
Rot. Bonds8

About N-[[4-butyl-1-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine

N-[[4-butyl-1-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 63521313) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is N-[[4-butyl-1-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-butyl-1-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID63521313
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC NameN-[[4-butyl-1-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCCCC1CCC(CCC(C)C)(CNC(C)(C)C)CC1
InChIInChI=1S/C20H41N/c1-7-8-9-18-11-14-20(15-12-18,13-10-17(2)3)16-21-19(4,5)6/h17-18,21H,7-16H2,1-6H3
InChIKeyPWGMPMAUHREQGO-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 ≤ 500295.56
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[4-butyl-1-(3-methylbutyl)cyclohexyl]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-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 103984479
N-[(4-butyl-1-pentan-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine
CID 107897307
N-[(4-butyl-1-methylcyclohexyl)methyl]-2-methylpropan-2-amine
CID 63521315
N-[[4-butyl-1-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
CID 63523282
N-[(1,4-dibutylcyclohexyl)methyl]ethanamine
CID 63523259
N-[(4-butyl-1-pentylcyclohexyl)methyl]cyclopropanamine
CID 63523447
N-[[4-butyl-1-(2-propan-2-yloxyethyl)cyclohexyl]methyl]ethanamine
CID 63522916
N-[(4-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine
CID 63523446
2-methyl-N-[(1-nonylcyclobutyl)methyl]propan-2-amine
CID 65194168
1-[4-butyl-1-(2-methoxypropyl)cyclohexyl]-N-methylmethanamine
CID 113382951
[4-ethyl-1-(3-methylbutyl)cyclohexyl]methanamine
CID 65393489
1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine
CID 62724574

Frequently Asked Questions

What is the IUPAC name of N-[[4-butyl-1-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-butyl-1-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine (CID 63521313) is N-[[4-butyl-1-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-butyl-1-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-butyl-1-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine is CCCCC1CCC(CCC(C)C)(CNC(C)(C)C)CC1.
What is the InChIKey of N-[[4-butyl-1-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is PWGMPMAUHREQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N/c1-7-8-9-18-11-14-20(15-12-18,13-10-17(2)3)16-21-19(4,5)6/h17-18,21H,7-16H2,1-6H3.
What are the key properties of N-[[4-butyl-1-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[4-butyl-1-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 295.56 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-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63521313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).