1-cyclohexyl-N'-ethyl-N'-phenyl-N-propylethane-1,2-diamine

C19H32N2 — CID 104744455

IUPAC1-cyclohexyl-N'-ethyl-N'-phenyl-N-propylethane-1,2-diamine
SMILESCCCNC(CN(CC)c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H32N2/c1-3-15-20-19(17-11-7-5-8-12-17)16-21(4-2)18-13-9-6-10-14-18/h6,9-10,13-14,17,19-20H,3-5,7-8,11-12,15-16H2,1-2H3
InChIKeyVQNKIDKURBDQQM-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.46
Rot. Bonds8

About 1-cyclohexyl-N'-ethyl-N'-phenyl-N-propylethane-1,2-diamine

1-cyclohexyl-N'-ethyl-N'-phenyl-N-propylethane-1,2-diamine (PubChem CID 104744455) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-cyclohexyl-N'-ethyl-N'-phenyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N'-ethyl-N'-phenyl-N-propylethane-1,2-diamine
PubChem CID104744455
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-cyclohexyl-N'-ethyl-N'-phenyl-N-propylethane-1,2-diamine
SMILESCCCNC(CN(CC)c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H32N2/c1-3-15-20-19(17-11-7-5-8-12-17)16-21(4-2)18-13-9-6-10-14-18/h6,9-10,13-14,17,19-20H,3-5,7-8,11-12,15-16H2,1-2H3
InChIKeyVQNKIDKURBDQQM-UHFFFAOYSA-N
XLogP4.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.46
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'-phenyl-N-propylethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N'-ethyl-N'-phenyl-N-propylethane-1,2-diamine (CID 104744455) is 1-cyclohexyl-N'-ethyl-N'-phenyl-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N'-ethyl-N'-phenyl-N-propylethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N'-ethyl-N'-phenyl-N-propylethane-1,2-diamine is CCCNC(CN(CC)c1ccccc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N'-ethyl-N'-phenyl-N-propylethane-1,2-diamine?
The InChIKey is VQNKIDKURBDQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-3-15-20-19(17-11-7-5-8-12-17)16-21(4-2)18-13-9-6-10-14-18/h6,9-10,13-14,17,19-20H,3-5,7-8,11-12,15-16H2,1-2H3.
What are the key properties of 1-cyclohexyl-N'-ethyl-N'-phenyl-N-propylethane-1,2-diamine?
1-cyclohexyl-N'-ethyl-N'-phenyl-N-propylethane-1,2-diamine has a molecular weight of 288.48 g/mol, XLogP of 4.46, 8 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'-phenyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 104744455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).