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

C19H32N2 — CID 63466722

IUPACN'-cyclohexyl-N'-ethyl-1-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/h5,7-8,11-12,18-20H,3-4,6,9-10,13-16H2,1-2H3
InChIKeyJTLIUUBIXDFZQI-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.38
Rot. Bonds8

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

N'-cyclohexyl-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine (PubChem CID 63466722) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N'-cyclohexyl-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine
PubChem CID63466722
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN'-cyclohexyl-N'-ethyl-1-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/h5,7-8,11-12,18-20H,3-4,6,9-10,13-16H2,1-2H3
InChIKeyJTLIUUBIXDFZQI-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(cyclopentylmethyl)-N'-methyl-1-phenyl-N-propylethane-1,2-diamine
CID 63631236
N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602
N'-(cyclopropylmethyl)-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine
CID 63955974
N'-cyclopropyl-N'-ethyl-N-(1-phenylbutyl)ethane-1,2-diamine
CID 103780383
3-cycloheptyl-1-phenyl-N-propylpropan-1-amine
CID 82924096
N'-cyclopentyl-N,N'-diethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 62617718
N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951
3-[cyclohexyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62618121
3-[cyclopentyl(ethyl)amino]-2-phenylpropanoic acid
CID 63067063
1-N-cyclopentyl-1-N-ethyl-2-N-propylbutane-1,2-diamine
CID 62038216
N-(2-cyclohexylsulfinyl-1-phenylethyl)propan-1-amine
CID 64656793
N'-cyclopropyl-1-(3,4-dimethylphenyl)-N,N'-dipropylethane-1,2-diamine
CID 63466998

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine?
The IUPAC name of N'-cyclohexyl-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine (CID 63466722) is N'-cyclohexyl-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine?
The canonical SMILES for N'-cyclohexyl-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine is CCCNC(CN(CC)C1CCCCC1)c1ccccc1.
What is the InChIKey of N'-cyclohexyl-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine?
The InChIKey is JTLIUUBIXDFZQI-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/h5,7-8,11-12,18-20H,3-4,6,9-10,13-16H2,1-2H3.
What are the key properties of N'-cyclohexyl-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine?
N'-cyclohexyl-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine has a molecular weight of 288.48 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 63466722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).