1-cyclohexyl-N,N'-diethyl-N'-methylethane-1,2-diamine

C13H28N2 — CID 104744599

IUPAC1-cyclohexyl-N,N'-diethyl-N'-methylethane-1,2-diamine
SMILESCCNC(CN(C)CC)C1CCCCC1
InChIInChI=1S/C13H28N2/c1-4-14-13(11-15(3)5-2)12-9-7-6-8-10-12/h12-14H,4-11H2,1-3H3
InChIKeyGANGDYLULOABHS-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds6

About 1-cyclohexyl-N,N'-diethyl-N'-methylethane-1,2-diamine

1-cyclohexyl-N,N'-diethyl-N'-methylethane-1,2-diamine (PubChem CID 104744599) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-cyclohexyl-N,N'-diethyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N,N'-diethyl-N'-methylethane-1,2-diamine
PubChem CID104744599
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-cyclohexyl-N,N'-diethyl-N'-methylethane-1,2-diamine
SMILESCCNC(CN(C)CC)C1CCCCC1
InChIInChI=1S/C13H28N2/c1-4-14-13(11-15(3)5-2)12-9-7-6-8-10-12/h12-14H,4-11H2,1-3H3
InChIKeyGANGDYLULOABHS-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-N,N'-diethyl-N'-methylethane-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-cyclohexyl-N'-cyclopropyl-N,N'-diethylethane-1,2-diamine
CID 104744610
1-cyclohexyl-N-ethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 104746206
1-cyclohexyl-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 113448229
1-cyclohexyl-N-ethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 104744433
1-cyclopentyl-N,N'-diethyl-N'-propan-2-ylethane-1,2-diamine
CID 104744640
1-cyclohexyl-N,N'-diethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
CID 104745245
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
1-cyclopropyl-N-ethyl-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 63913206
N'-cyclohexyl-1-cyclopropyl-N,N'-diethylethane-1,2-diamine
CID 63912315
1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N-ethyl-N'-methylethane-1,2-diamine
CID 104745574
1-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-N'-methylethane-1,2-diamine
CID 63913659
1-cyclopentyl-N'-(cyclopropylmethyl)-N,N'-diethylethane-1,2-diamine
CID 104746400

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N,N'-diethyl-N'-methylethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N,N'-diethyl-N'-methylethane-1,2-diamine (CID 104744599) is 1-cyclohexyl-N,N'-diethyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N,N'-diethyl-N'-methylethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N,N'-diethyl-N'-methylethane-1,2-diamine is CCNC(CN(C)CC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N,N'-diethyl-N'-methylethane-1,2-diamine?
The InChIKey is GANGDYLULOABHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-14-13(11-15(3)5-2)12-9-7-6-8-10-12/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-cyclohexyl-N,N'-diethyl-N'-methylethane-1,2-diamine?
1-cyclohexyl-N,N'-diethyl-N'-methylethane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 6 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'-methylethane-1,2-diamine is sourced from PubChem (CID 104744599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).