1-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)butan-2-amine

C17H27NS — CID 63536931

IUPAC1-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)butan-2-amine
SMILESCCC(N)C(SCC1CCCC1)c1ccc(C)cc1
InChIInChI=1S/C17H27NS/c1-3-16(18)17(15-10-8-13(2)9-11-15)19-12-14-6-4-5-7-14/h8-11,14,16-17H,3-7,12,18H2,1-2H3
InChIKeyZLUASYIYSUUDBD-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.70
Rot. Bonds6

About 1-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)butan-2-amine

1-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)butan-2-amine (PubChem CID 63536931) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is 1-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)butan-2-amine
PubChem CID63536931
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name1-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)butan-2-amine
SMILESCCC(N)C(SCC1CCCC1)c1ccc(C)cc1
InChIInChI=1S/C17H27NS/c1-3-16(18)17(15-10-8-13(2)9-11-15)19-12-14-6-4-5-7-14/h8-11,14,16-17H,3-7,12,18H2,1-2H3
InChIKeyZLUASYIYSUUDBD-UHFFFAOYSA-N
XLogP4.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopentylmethylsulfanyl)-1-(5-methylfuran-2-yl)butan-2-amine
CID 55179079
1-(2-methylbutylsulfanyl)-1-(4-methylphenyl)butan-2-amine
CID 107748828
1-(cyclohexylmethoxy)-1-(4-methylphenyl)butan-2-amine
CID 62383299
2-(cyclopentylmethylsulfanyl)pentan-3-amine
CID 64627210
1-(cyclopentylmethylsulfanyl)-1-pyridin-4-ylpropan-2-amine
CID 63119274
1-(2-methyloxolan-3-yl)sulfanyl-1-(4-methylphenyl)butan-2-amine
CID 107748221
2-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)-N-propylpropan-1-amine
CID 64627775
1-(2-cyclobutylethoxy)-1-(4-methylphenyl)butan-2-amine
CID 106200131
2-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]cyclohexan-1-ol
CID 102631590
3-cyclopentyl-2-(4-methylphenyl)propan-1-amine
CID 79437228
1-N-methyl-1-(4-methylphenyl)-1-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63727618
1-(4-methylphenyl)-1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine
CID 55014985

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)butan-2-amine?
The IUPAC name of 1-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)butan-2-amine (CID 63536931) is 1-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)butan-2-amine is CCC(N)C(SCC1CCCC1)c1ccc(C)cc1.
What is the InChIKey of 1-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)butan-2-amine?
The InChIKey is ZLUASYIYSUUDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-3-16(18)17(15-10-8-13(2)9-11-15)19-12-14-6-4-5-7-14/h8-11,14,16-17H,3-7,12,18H2,1-2H3.
What are the key properties of 1-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)butan-2-amine?
1-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)butan-2-amine has a molecular weight of 277.48 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)butan-2-amine is sourced from PubChem (CID 63536931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).