1-cyclohexyl-N-ethyl-N'-methyl-N'-phenylethane-1,2-diamine

C17H28N2 — CID 104744322

IUPAC1-cyclohexyl-N-ethyl-N'-methyl-N'-phenylethane-1,2-diamine
SMILESCCNC(CN(C)c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H28N2/c1-3-18-17(15-10-6-4-7-11-15)14-19(2)16-12-8-5-9-13-16/h5,8-9,12-13,15,17-18H,3-4,6-7,10-11,14H2,1-2H3
InChIKeyIDARUQPHXCEVSE-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.68
Rot. Bonds6

About 1-cyclohexyl-N-ethyl-N'-methyl-N'-phenylethane-1,2-diamine

1-cyclohexyl-N-ethyl-N'-methyl-N'-phenylethane-1,2-diamine (PubChem CID 104744322) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-N'-methyl-N'-phenylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-N'-methyl-N'-phenylethane-1,2-diamine
PubChem CID104744322
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-cyclohexyl-N-ethyl-N'-methyl-N'-phenylethane-1,2-diamine
SMILESCCNC(CN(C)c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H28N2/c1-3-18-17(15-10-6-4-7-11-15)14-19(2)16-12-8-5-9-13-16/h5,8-9,12-13,15,17-18H,3-4,6-7,10-11,14H2,1-2H3
InChIKeyIDARUQPHXCEVSE-UHFFFAOYSA-N
XLogP3.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-N-ethyl-N'-methyl-N'-(2-methylphenyl)ethane-1,2-diamine
CID 104745809
1-cyclohexyl-N'-ethyl-N'-phenyl-N-propylethane-1,2-diamine
CID 104744455
1-cyclohexyl-N,N'-diethyl-N'-methylethane-1,2-diamine
CID 104744599
1-cyclopropyl-N-ethyl-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 63914549
1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 65018291
1-cyclohexyl-N-ethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 104744433
1-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 65398874
1-cycloheptyl-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63528977
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
1-cyclohexyl-N'-cyclopropyl-N,N'-diethylethane-1,2-diamine
CID 104744610
1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N-ethyl-N'-methylethane-1,2-diamine
CID 104745574
1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 65018192

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-N'-methyl-N'-phenylethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N-ethyl-N'-methyl-N'-phenylethane-1,2-diamine (CID 104744322) is 1-cyclohexyl-N-ethyl-N'-methyl-N'-phenylethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-N'-methyl-N'-phenylethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-N'-methyl-N'-phenylethane-1,2-diamine is CCNC(CN(C)c1ccccc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-N'-methyl-N'-phenylethane-1,2-diamine?
The InChIKey is IDARUQPHXCEVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-18-17(15-10-6-4-7-11-15)14-19(2)16-12-8-5-9-13-16/h5,8-9,12-13,15,17-18H,3-4,6-7,10-11,14H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-ethyl-N'-methyl-N'-phenylethane-1,2-diamine?
1-cyclohexyl-N-ethyl-N'-methyl-N'-phenylethane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-N'-methyl-N'-phenylethane-1,2-diamine is sourced from PubChem (CID 104744322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).