1-cyclopentylsulfanyl-N-ethyl-3,3-dimethylbutan-2-amine

C13H27NS — CID 64625936

IUPAC1-cyclopentylsulfanyl-N-ethyl-3,3-dimethylbutan-2-amine
SMILESCCNC(CSC1CCCC1)C(C)(C)C
InChIInChI=1S/C13H27NS/c1-5-14-12(13(2,3)4)10-15-11-8-6-7-9-11/h11-12,14H,5-10H2,1-4H3
InChIKeyIEQVECARGMIJPW-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.69
Rot. Bonds5

About 1-cyclopentylsulfanyl-N-ethyl-3,3-dimethylbutan-2-amine

1-cyclopentylsulfanyl-N-ethyl-3,3-dimethylbutan-2-amine (PubChem CID 64625936) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is 1-cyclopentylsulfanyl-N-ethyl-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-cyclopentylsulfanyl-N-ethyl-3,3-dimethylbutan-2-amine
PubChem CID64625936
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC Name1-cyclopentylsulfanyl-N-ethyl-3,3-dimethylbutan-2-amine
SMILESCCNC(CSC1CCCC1)C(C)(C)C
InChIInChI=1S/C13H27NS/c1-5-14-12(13(2,3)4)10-15-11-8-6-7-9-11/h11-12,14H,5-10H2,1-4H3
InChIKeyIEQVECARGMIJPW-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

1-cyclohexylsulfanyl-N,3,3-trimethylbutan-2-amine
CID 64632835
1-cyclopentylsulfanyl-N-ethylbutan-2-amine
CID 64628616
1-cyclohexylsulfanyl-N-ethyl-3-methylbut-3-en-2-amine
CID 79180264
1-cyclohexylsulfanyl-N-ethyl-4-methylpent-4-en-2-amine
CID 79185206
2-cyclopentylsulfanyl-N-ethyl-1-pyrimidin-5-ylethanamine
CID 65140510
1-cyclohexylsulfanyl-N-ethyl-3-phenylpropan-2-amine
CID 65144146
2-cyclopentylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 64628346
2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 64628145
1-(1-benzothiophen-7-yl)-2-cyclopentylsulfanyl-N-ethylethanamine
CID 81153093
N-ethyl-2,2,5,6,6-pentamethylheptan-3-amine
CID 115854187
N-(2-cyclohexylsulfanylethyl)pentan-3-amine
CID 62580088
2-cyclopentylsulfanyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64628412

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfanyl-N-ethyl-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-cyclopentylsulfanyl-N-ethyl-3,3-dimethylbutan-2-amine (CID 64625936) is 1-cyclopentylsulfanyl-N-ethyl-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-cyclopentylsulfanyl-N-ethyl-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-cyclopentylsulfanyl-N-ethyl-3,3-dimethylbutan-2-amine is CCNC(CSC1CCCC1)C(C)(C)C.
What is the InChIKey of 1-cyclopentylsulfanyl-N-ethyl-3,3-dimethylbutan-2-amine?
The InChIKey is IEQVECARGMIJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-5-14-12(13(2,3)4)10-15-11-8-6-7-9-11/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 1-cyclopentylsulfanyl-N-ethyl-3,3-dimethylbutan-2-amine?
1-cyclopentylsulfanyl-N-ethyl-3,3-dimethylbutan-2-amine has a molecular weight of 229.43 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfanyl-N-ethyl-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 64625936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).