4-cyclopentyl-N-(2-methylsulfanylpropyl)butan-2-amine

C13H27NS — CID 115895600

IUPAC4-cyclopentyl-N-(2-methylsulfanylpropyl)butan-2-amine
SMILESCSC(C)CNC(C)CCC1CCCC1
InChIInChI=1S/C13H27NS/c1-11(14-10-12(2)15-3)8-9-13-6-4-5-7-13/h11-14H,4-10H2,1-3H3
InChIKeyACUFTVKLGVWANI-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.69
Rot. Bonds7

About 4-cyclopentyl-N-(2-methylsulfanylpropyl)butan-2-amine

4-cyclopentyl-N-(2-methylsulfanylpropyl)butan-2-amine (PubChem CID 115895600) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is 4-cyclopentyl-N-(2-methylsulfanylpropyl)butan-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-N-(2-methylsulfanylpropyl)butan-2-amine
PubChem CID115895600
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC Name4-cyclopentyl-N-(2-methylsulfanylpropyl)butan-2-amine
SMILESCSC(C)CNC(C)CCC1CCCC1
InChIInChI=1S/C13H27NS/c1-11(14-10-12(2)15-3)8-9-13-6-4-5-7-13/h11-14H,4-10H2,1-3H3
InChIKeyACUFTVKLGVWANI-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-cyclopentylbutan-2-ylamino)-3-methylbutan-1-ol
CID 115725107
4-cyclopentyl-N-methylbutan-2-amine
CID 61343208
N-[(2R)-4-cyclohexylbutan-2-yl]thiohydroxylamine;ethane
CID 145163045
4-cyclopentyl-N-(2-methylsulfinylethyl)butan-2-amine
CID 115720838
(3-methyl-4-methylsulfanylbutyl)cyclopentane
CID 139570200
4-cyclopentyl-N-(oxolan-2-ylmethyl)butan-2-amine
CID 115705992
2-(4-cyclohexylbutan-2-ylamino)-N-methylacetamide
CID 115706807
2,4-dicyclopentyl-N-propan-2-ylbutan-1-amine
CID 114192567
N-(2-cyclohexylsulfanylpropyl)pentan-2-amine
CID 62579529
4-cyclopentyl-N-(3-methylsulfinylpropyl)butan-2-amine
CID 115721085
4-cyclopropyl-N-propylbutan-2-amine
CID 64504498
(2S)-2-(4-cyclohexylbutan-2-ylamino)propan-1-ol
CID 103788986

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-(2-methylsulfanylpropyl)butan-2-amine?
The IUPAC name of 4-cyclopentyl-N-(2-methylsulfanylpropyl)butan-2-amine (CID 115895600) is 4-cyclopentyl-N-(2-methylsulfanylpropyl)butan-2-amine.
What is the SMILES notation for 4-cyclopentyl-N-(2-methylsulfanylpropyl)butan-2-amine?
The canonical SMILES for 4-cyclopentyl-N-(2-methylsulfanylpropyl)butan-2-amine is CSC(C)CNC(C)CCC1CCCC1.
What is the InChIKey of 4-cyclopentyl-N-(2-methylsulfanylpropyl)butan-2-amine?
The InChIKey is ACUFTVKLGVWANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-11(14-10-12(2)15-3)8-9-13-6-4-5-7-13/h11-14H,4-10H2,1-3H3.
What are the key properties of 4-cyclopentyl-N-(2-methylsulfanylpropyl)butan-2-amine?
4-cyclopentyl-N-(2-methylsulfanylpropyl)butan-2-amine has a molecular weight of 229.43 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-(2-methylsulfanylpropyl)butan-2-amine is sourced from PubChem (CID 115895600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).