2-N-[(4-ethylsulfanylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine

C14H24N2S — CID 115132728

IUPAC2-N-[(4-ethylsulfanylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCCSc1ccc(CNC(C)(C)CNC)cc1
InChIInChI=1S/C14H24N2S/c1-5-17-13-8-6-12(7-9-13)10-16-14(2,3)11-15-4/h6-9,15-16H,5,10-11H2,1-4H3
InChIKeyTVSNRMWQMYNWFW-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.89
Rot. Bonds7

About 2-N-[(4-ethylsulfanylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine

2-N-[(4-ethylsulfanylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 115132728) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 2-N-[(4-ethylsulfanylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-ethylsulfanylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
PubChem CID115132728
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name2-N-[(4-ethylsulfanylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCCSc1ccc(CNC(C)(C)CNC)cc1
InChIInChI=1S/C14H24N2S/c1-5-17-13-8-6-12(7-9-13)10-16-14(2,3)11-15-4/h6-9,15-16H,5,10-11H2,1-4H3
InChIKeyTVSNRMWQMYNWFW-UHFFFAOYSA-N
XLogP2.89
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 44613451
2-N-Ethylamino-1-(4-ethylthiophenyl)propane
CID 44613452
2-N-Methylamino-1-(4-methylthiophenyl)butane
CID 44613575
2-N-Ethylamino-1-(4-methylthiophenyl)butane
CID 44613576
2-N-(n-Propyl)amino-1-(4-methylthiophenyl)butane
CID 44613577
2-N-Cyclopropylamino-1-(4-methylthiophenyl)butane
CID 44613579

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-ethylsulfanylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[(4-ethylsulfanylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine (CID 115132728) is 2-N-[(4-ethylsulfanylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(4-ethylsulfanylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(4-ethylsulfanylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine is CCSc1ccc(CNC(C)(C)CNC)cc1.
What is the InChIKey of 2-N-[(4-ethylsulfanylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is TVSNRMWQMYNWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-5-17-13-8-6-12(7-9-13)10-16-14(2,3)11-15-4/h6-9,15-16H,5,10-11H2,1-4H3.
What are the key properties of 2-N-[(4-ethylsulfanylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine?
2-N-[(4-ethylsulfanylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine has a molecular weight of 252.43 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-ethylsulfanylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115132728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).