N'-cyclopropyl-1-(4-ethylsulfanylphenyl)-N,N-dimethylethane-1,2-diamine

C15H24N2S — CID 116906127

IUPACN'-cyclopropyl-1-(4-ethylsulfanylphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCCSc1ccc(C(CNC2CC2)N(C)C)cc1
InChIInChI=1S/C15H24N2S/c1-4-18-14-9-5-12(6-10-14)15(17(2)3)11-16-13-7-8-13/h5-6,9-10,13,15-16H,4,7-8,11H2,1-3H3
InChIKeyPQWBKGTYXUPSNI-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.15
Rot. Bonds7

About N'-cyclopropyl-1-(4-ethylsulfanylphenyl)-N,N-dimethylethane-1,2-diamine

N'-cyclopropyl-1-(4-ethylsulfanylphenyl)-N,N-dimethylethane-1,2-diamine (PubChem CID 116906127) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is N'-cyclopropyl-1-(4-ethylsulfanylphenyl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-1-(4-ethylsulfanylphenyl)-N,N-dimethylethane-1,2-diamine
PubChem CID116906127
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC NameN'-cyclopropyl-1-(4-ethylsulfanylphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCCSc1ccc(C(CNC2CC2)N(C)C)cc1
InChIInChI=1S/C15H24N2S/c1-4-18-14-9-5-12(6-10-14)15(17(2)3)11-16-13-7-8-13/h5-6,9-10,13,15-16H,4,7-8,11H2,1-3H3
InChIKeyPQWBKGTYXUPSNI-UHFFFAOYSA-N
XLogP3.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethylsulfanylphenyl)ethyl]cyclopropanamine
CID 115769694
N-cyclopropyl-N'-(4-ethylsulfanylphenyl)ethane-1,2-diamine
CID 115206764
N'-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylethane-1,2-diamine
CID 116906138
N-butyl-N'-cyclopropyl-N-methyl-1-phenylethane-1,2-diamine
CID 62424766
N'-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-1-phenylethane-1,2-diamine
CID 63964134
2-(cyclopropylamino)-1-(4-ethylsulfanylphenyl)propan-1-ol
CID 112514142
N-(2-methyl-4-phenylsulfanylbutyl)cyclopropanamine
CID 79228974
1-(4-ethylsulfanylphenyl)-N',N'-dimethylmethanediamine
CID 116909120
2-(dimethylamino)-2-(4-ethylsulfanylphenyl)acetonitrile
CID 116909818
4-[1-(4-ethylsulfanylphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 122031139
N,N-dimethyl-N'-(1-methylazepan-4-yl)-1-phenylethane-1,2-diamine
CID 65071440
N'-cyclopropyl-N-ethyl-N-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 62422186

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-1-(4-ethylsulfanylphenyl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-1-(4-ethylsulfanylphenyl)-N,N-dimethylethane-1,2-diamine (CID 116906127) is N'-cyclopropyl-1-(4-ethylsulfanylphenyl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-1-(4-ethylsulfanylphenyl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-1-(4-ethylsulfanylphenyl)-N,N-dimethylethane-1,2-diamine is CCSc1ccc(C(CNC2CC2)N(C)C)cc1.
What is the InChIKey of N'-cyclopropyl-1-(4-ethylsulfanylphenyl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is PQWBKGTYXUPSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-4-18-14-9-5-12(6-10-14)15(17(2)3)11-16-13-7-8-13/h5-6,9-10,13,15-16H,4,7-8,11H2,1-3H3.
What are the key properties of N'-cyclopropyl-1-(4-ethylsulfanylphenyl)-N,N-dimethylethane-1,2-diamine?
N'-cyclopropyl-1-(4-ethylsulfanylphenyl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 264.44 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-1-(4-ethylsulfanylphenyl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 116906127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).