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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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).