1-(3-cyclopropylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine

C15H24N2S — CID 112658329

IUPAC1-(3-cyclopropylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCSCCN(C)C(CN)c1cccc(C2CC2)c1
InChIInChI=1S/C15H24N2S/c1-17(8-9-18-2)15(11-16)14-5-3-4-13(10-14)12-6-7-12/h3-5,10,12,15H,6-9,11,16H2,1-2H3
InChIKeyDEZQSPATYWTKQO-UHFFFAOYSA-N
MW264.44 g/mol
LogP2.86
Rot. Bonds7

About 1-(3-cyclopropylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine

1-(3-cyclopropylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine (PubChem CID 112658329) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 1-(3-cyclopropylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-cyclopropylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
PubChem CID112658329
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name1-(3-cyclopropylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCSCCN(C)C(CN)c1cccc(C2CC2)c1
InChIInChI=1S/C15H24N2S/c1-17(8-9-18-2)15(11-16)14-5-3-4-13(10-14)12-6-7-12/h3-5,10,12,15H,6-9,11,16H2,1-2H3
InChIKeyDEZQSPATYWTKQO-UHFFFAOYSA-N
XLogP2.86
TPSA29.26 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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclopropylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112658234
N'-[2-amino-1-(3-cyclopropylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 79984117
1-(3-cyclopropylphenyl)-N,N-dimethylethane-1,2-diamine
CID 79984483
1-(3-bromophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657494
N-methyl-N-(2-methylsulfanylethyl)-1-phenylethane-1,2-diamine
CID 112657406
1-(3-cyclopropylphenyl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine
CID 79969343
N-methyl-1-(3-methylphenyl)-N-(3-methylsulfanylpropyl)ethane-1,2-diamine
CID 114236533
1-(3-cyclopropylphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 79968542
1-(3-cyclopropylphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 79984565
2-N-[2-amino-1-(3-cyclopropylphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188232
1-(3-bromo-4-methylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 105405164
1-(3,5-difluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 106528761

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-cyclopropylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine (CID 112658329) is 1-(3-cyclopropylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-cyclopropylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-cyclopropylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine is CSCCN(C)C(CN)c1cccc(C2CC2)c1.
What is the InChIKey of 1-(3-cyclopropylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The InChIKey is DEZQSPATYWTKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-17(8-9-18-2)15(11-16)14-5-3-4-13(10-14)12-6-7-12/h3-5,10,12,15H,6-9,11,16H2,1-2H3.
What are the key properties of 1-(3-cyclopropylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
1-(3-cyclopropylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine has a molecular weight of 264.44 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine is sourced from PubChem (CID 112658329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).