2-(cyclopentylmethylsulfanyl)-3,3-dimethylbutan-1-amine

C12H25NS — CID 63119306

IUPAC2-(cyclopentylmethylsulfanyl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(CN)SCC1CCCC1
InChIInChI=1S/C12H25NS/c1-12(2,3)11(8-13)14-9-10-6-4-5-7-10/h10-11H,4-9,13H2,1-3H3
InChIKeyJXWNLAWWLZSFSY-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.28
Rot. Bonds4

About 2-(cyclopentylmethylsulfanyl)-3,3-dimethylbutan-1-amine

2-(cyclopentylmethylsulfanyl)-3,3-dimethylbutan-1-amine (PubChem CID 63119306) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfanyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfanyl)-3,3-dimethylbutan-1-amine
PubChem CID63119306
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name2-(cyclopentylmethylsulfanyl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(CN)SCC1CCCC1
InChIInChI=1S/C12H25NS/c1-12(2,3)11(8-13)14-9-10-6-4-5-7-10/h10-11H,4-9,13H2,1-3H3
InChIKeyJXWNLAWWLZSFSY-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-(cyclopentylmethylsulfanyl)-2-methylpentanenitrile
CID 64711370
3-(cyclopentylmethylsulfanyl)pentan-1-amine
CID 63119733
2-(cyclohexylmethyl)-3,3-dimethylbutan-1-amine
CID 83138887
2-(cyclopentylmethylsulfanyl)pentan-3-amine
CID 64627210
2-(cyclopentylmethoxy)-3,3-dimethylbutan-1-amine
CID 66323011
4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentan-1-ol
CID 64807799
4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentan-1-ol
CID 64807801
2-(cyclopentylmethylsulfanyl)-2-(5-methylfuran-2-yl)ethanamine
CID 63119247
ethyl 4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentanoate
CID 64704550
2-N-cyclopentyl-2-N,3,3-trimethylbutane-1,2-diamine
CID 61326826
ethyl 4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentanoate
CID 64704947
2-cyclohexyl-2-cyclopropylpropan-1-amine
CID 83828448

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylsulfanyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-(cyclopentylmethylsulfanyl)-3,3-dimethylbutan-1-amine (CID 63119306) is 2-(cyclopentylmethylsulfanyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(cyclopentylmethylsulfanyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(cyclopentylmethylsulfanyl)-3,3-dimethylbutan-1-amine is CC(C)(C)C(CN)SCC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethylsulfanyl)-3,3-dimethylbutan-1-amine?
The InChIKey is JXWNLAWWLZSFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-12(2,3)11(8-13)14-9-10-6-4-5-7-10/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 2-(cyclopentylmethylsulfanyl)-3,3-dimethylbutan-1-amine?
2-(cyclopentylmethylsulfanyl)-3,3-dimethylbutan-1-amine has a molecular weight of 215.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfanyl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 63119306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).