1-cyclopentyl-N-ethyl-4-methylsulfanylbutan-2-amine

C12H25NS — CID 105138985

IUPAC1-cyclopentyl-N-ethyl-4-methylsulfanylbutan-2-amine
SMILESCCNC(CCSC)CC1CCCC1
InChIInChI=1S/C12H25NS/c1-3-13-12(8-9-14-2)10-11-6-4-5-7-11/h11-13H,3-10H2,1-2H3
InChIKeyDFBDLLRBGVOMHB-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.30
Rot. Bonds7

About 1-cyclopentyl-N-ethyl-4-methylsulfanylbutan-2-amine

1-cyclopentyl-N-ethyl-4-methylsulfanylbutan-2-amine (PubChem CID 105138985) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 1-cyclopentyl-N-ethyl-4-methylsulfanylbutan-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-ethyl-4-methylsulfanylbutan-2-amine
PubChem CID105138985
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name1-cyclopentyl-N-ethyl-4-methylsulfanylbutan-2-amine
SMILESCCNC(CCSC)CC1CCCC1
InChIInChI=1S/C12H25NS/c1-3-13-12(8-9-14-2)10-11-6-4-5-7-11/h11-13H,3-10H2,1-2H3
InChIKeyDFBDLLRBGVOMHB-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-ethyl-4-methylsulfanylbutan-2-amine
CID 105152861
1-cyclohexyl-4-methylsulfanyl-N-propylbutan-2-amine
CID 105135576
1,3-dicyclopentyl-N-ethylpropan-2-amine
CID 115847226
1-cyclobutyl-3-cyclopentyl-N-ethylpropan-2-amine
CID 115863503
N-ethyl-4-methylsulfanyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105166976
1-cycloheptyl-3-cyclopropyl-N-ethylpropan-2-amine
CID 104986481
4-cyclopentyl-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346595
1-cyclohexyl-N-ethylheptan-2-amine
CID 115837188
1-cyclobutyl-N-ethyl-5-methylhexan-2-amine
CID 65458371
1-cyclopentyl-N-ethyl-5-methoxyhexan-2-amine
CID 105138937
1-cyclohexyl-N-propylpentan-2-amine
CID 63413972
1-cycloheptyl-N-ethyl-5-methylhex-5-en-2-amine
CID 105039575

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-ethyl-4-methylsulfanylbutan-2-amine?
The IUPAC name of 1-cyclopentyl-N-ethyl-4-methylsulfanylbutan-2-amine (CID 105138985) is 1-cyclopentyl-N-ethyl-4-methylsulfanylbutan-2-amine.
What is the SMILES notation for 1-cyclopentyl-N-ethyl-4-methylsulfanylbutan-2-amine?
The canonical SMILES for 1-cyclopentyl-N-ethyl-4-methylsulfanylbutan-2-amine is CCNC(CCSC)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-ethyl-4-methylsulfanylbutan-2-amine?
The InChIKey is DFBDLLRBGVOMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-3-13-12(8-9-14-2)10-11-6-4-5-7-11/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-ethyl-4-methylsulfanylbutan-2-amine?
1-cyclopentyl-N-ethyl-4-methylsulfanylbutan-2-amine has a molecular weight of 215.41 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-ethyl-4-methylsulfanylbutan-2-amine is sourced from PubChem (CID 105138985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).