1-cyclohexyl-N,N'-diethyl-N'-(2-ethylbutyl)ethane-1,2-diamine

C18H38N2 — CID 104745245

IUPAC1-cyclohexyl-N,N'-diethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
SMILESCCNC(CN(CC)CC(CC)CC)C1CCCCC1
InChIInChI=1S/C18H38N2/c1-5-16(6-2)14-20(8-4)15-18(19-7-3)17-12-10-9-11-13-17/h16-19H,5-15H2,1-4H3
InChIKeyHDWBQJLYJIJRGR-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.30
Rot. Bonds10

About 1-cyclohexyl-N,N'-diethyl-N'-(2-ethylbutyl)ethane-1,2-diamine

1-cyclohexyl-N,N'-diethyl-N'-(2-ethylbutyl)ethane-1,2-diamine (PubChem CID 104745245) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 1-cyclohexyl-N,N'-diethyl-N'-(2-ethylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N,N'-diethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
PubChem CID104745245
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name1-cyclohexyl-N,N'-diethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
SMILESCCNC(CN(CC)CC(CC)CC)C1CCCCC1
InChIInChI=1S/C18H38N2/c1-5-16(6-2)14-20(8-4)15-18(19-7-3)17-12-10-9-11-13-17/h16-19H,5-15H2,1-4H3
InChIKeyHDWBQJLYJIJRGR-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-N,N'-diethyl-N'-(2-ethylbutyl)ethane-1,2-diamine 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

1-cyclopentyl-N'-(cyclopropylmethyl)-N,N'-diethylethane-1,2-diamine
CID 104746400
1-cyclopropyl-N'-ethyl-N'-(2-ethylbutyl)-N-propylethane-1,2-diamine
CID 63915177
1-cyclohexyl-N,N'-diethyl-N'-methylethane-1,2-diamine
CID 104744599
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
1-cyclohexyl-N'-cyclopropyl-N,N'-diethylethane-1,2-diamine
CID 104744610
1-cyclopentyl-N,N'-diethyl-N'-propan-2-ylethane-1,2-diamine
CID 104744640
N'-cyclohexyl-1-cyclopropyl-N,N'-diethylethane-1,2-diamine
CID 63912315
1-cyclohexyl-N-ethyl-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine
CID 104746704
1-cyclohexyl-N-ethyl-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine
CID 104745409
1-cycloheptyl-N-ethyl-3-methylpentan-1-amine
CID 65399965
1-cyclohexyl-N-ethyl-N'-propan-2-yl-N'-propylethane-1,2-diamine
CID 113448017
N'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745249

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N,N'-diethyl-N'-(2-ethylbutyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N,N'-diethyl-N'-(2-ethylbutyl)ethane-1,2-diamine (CID 104745245) is 1-cyclohexyl-N,N'-diethyl-N'-(2-ethylbutyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N,N'-diethyl-N'-(2-ethylbutyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N,N'-diethyl-N'-(2-ethylbutyl)ethane-1,2-diamine is CCNC(CN(CC)CC(CC)CC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N,N'-diethyl-N'-(2-ethylbutyl)ethane-1,2-diamine?
The InChIKey is HDWBQJLYJIJRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-5-16(6-2)14-20(8-4)15-18(19-7-3)17-12-10-9-11-13-17/h16-19H,5-15H2,1-4H3.
What are the key properties of 1-cyclohexyl-N,N'-diethyl-N'-(2-ethylbutyl)ethane-1,2-diamine?
1-cyclohexyl-N,N'-diethyl-N'-(2-ethylbutyl)ethane-1,2-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.30, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N,N'-diethyl-N'-(2-ethylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 104745245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).