N-[[2-(cyclopentylmethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine

C20H39N — CID 81025982

IUPACN-[[2-(cyclopentylmethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCCC1CCC(CNC(C)(C)C)C(CC2CCCC2)C1
InChIInChI=1S/C20H39N/c1-5-8-16-11-12-18(15-21-20(2,3)4)19(13-16)14-17-9-6-7-10-17/h16-19,21H,5-15H2,1-4H3
InChIKeyCWDGYQAIJQORMQ-UHFFFAOYSA-N
MW293.54 g/mol
LogP5.79
Rot. Bonds6

About N-[[2-(cyclopentylmethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine

N-[[2-(cyclopentylmethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 81025982) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is N-[[2-(cyclopentylmethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(cyclopentylmethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID81025982
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC NameN-[[2-(cyclopentylmethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCCC1CCC(CNC(C)(C)C)C(CC2CCCC2)C1
InChIInChI=1S/C20H39N/c1-5-8-16-11-12-18(15-21-20(2,3)4)19(13-16)14-17-9-6-7-10-17/h16-19,21H,5-15H2,1-4H3
InChIKeyCWDGYQAIJQORMQ-UHFFFAOYSA-N
XLogP5.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-(cyclopentylmethyl)-4-propylcyclohexyl]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-[[2-(cyclopentylmethyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81032369
N-[[2-(methoxymethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81030062
2-methyl-N-[[2-(4-methylpentyl)-4-propylcyclohexyl]methyl]propan-2-amine
CID 83148411
2-(cyclopentylmethyl)-N-ethyl-4-propylcyclohexan-1-amine
CID 63401306
2-methyl-N-[[4-propyl-2-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 81025989
1-[2-(cyclohexylmethyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81031700
N-[[4-ethyl-2-(2-ethylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 82935432
1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 70430254
propylcyclotetradecane
CID 90991550
N-[(2-tert-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-2-amine
CID 81030105
2-methyl-N-[(4-methyl-2-octylcyclohexyl)methyl]propan-2-amine
CID 81033652
(2-cyclopentylsulfanyl-4-propylcyclohexyl)methanamine
CID 63405084

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopentylmethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(cyclopentylmethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine (CID 81025982) is N-[[2-(cyclopentylmethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(cyclopentylmethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(cyclopentylmethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine is CCCC1CCC(CNC(C)(C)C)C(CC2CCCC2)C1.
What is the InChIKey of N-[[2-(cyclopentylmethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is CWDGYQAIJQORMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N/c1-5-8-16-11-12-18(15-21-20(2,3)4)19(13-16)14-17-9-6-7-10-17/h16-19,21H,5-15H2,1-4H3.
What are the key properties of N-[[2-(cyclopentylmethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[2-(cyclopentylmethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 293.54 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopentylmethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81025982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).