N-[cyclopropyl(phenyl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine

C15H23NS — CID 63981486

IUPACN-[cyclopropyl(phenyl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNC(c1ccccc1)C1CC1
InChIInChI=1S/C15H23NS/c1-12(11-17-2)10-16-15(14-8-9-14)13-6-4-3-5-7-13/h3-7,12,14-16H,8-11H2,1-2H3
InChIKeyBJUNEXUOWCTOHN-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.73
Rot. Bonds7

About N-[cyclopropyl(phenyl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine

N-[cyclopropyl(phenyl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine (PubChem CID 63981486) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
PubChem CID63981486
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-[cyclopropyl(phenyl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNC(c1ccccc1)C1CC1
InChIInChI=1S/C15H23NS/c1-12(11-17-2)10-16-15(14-8-9-14)13-6-4-3-5-7-13/h3-7,12,14-16H,8-11H2,1-2H3
InChIKeyBJUNEXUOWCTOHN-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl(phenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570466
N-[cyclopropyl(thiophen-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981496
1-cyclopropyl-2-[[cyclopropyl(phenyl)methyl]amino]ethanol
CID 63298552
3-[[cyclopropyl(phenyl)methyl]amino]-1,1,1-trifluoropropan-2-ol
CID 113350008
N-[cyclopropyl(phenyl)methyl]-2-ethylhexan-1-amine
CID 63420427
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
N-[(S)-cyclopropyl(phenyl)methyl]methanesulfonamide
CID 94197122
3-cyclopropyl-N-[cyclopropyl(phenyl)methyl]propan-1-amine
CID 115898654
N-[cyclopropyl(phenyl)methyl]-7-methyloctan-1-amine
CID 63421172
N-(2-methyl-3-methylsulfanylpropyl)-1-phenylpentan-1-amine
CID 63983409
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
1-cyclopropyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine
CID 115770001

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine (CID 63981486) is N-[cyclopropyl(phenyl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine is CSCC(C)CNC(c1ccccc1)C1CC1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine?
The InChIKey is BJUNEXUOWCTOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-12(11-17-2)10-16-15(14-8-9-14)13-6-4-3-5-7-13/h3-7,12,14-16H,8-11H2,1-2H3.
What are the key properties of N-[cyclopropyl(phenyl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine?
N-[cyclopropyl(phenyl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine has a molecular weight of 249.42 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 63981486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).