3-ethylsulfanyl-N-(2-methylpropyl)cyclohexan-1-amine

C12H25NS — CID 115876683

IUPAC3-ethylsulfanyl-N-(2-methylpropyl)cyclohexan-1-amine
SMILESCCSC1CCCC(NCC(C)C)C1
InChIInChI=1S/C12H25NS/c1-4-14-12-7-5-6-11(8-12)13-9-10(2)3/h10-13H,4-9H2,1-3H3
InChIKeyYMXJFYLWUOZZRM-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.30
Rot. Bonds5

About 3-ethylsulfanyl-N-(2-methylpropyl)cyclohexan-1-amine

3-ethylsulfanyl-N-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 115876683) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-ethylsulfanyl-N-(2-methylpropyl)cyclohexan-1-amine
PubChem CID115876683
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name3-ethylsulfanyl-N-(2-methylpropyl)cyclohexan-1-amine
SMILESCCSC1CCCC(NCC(C)C)C1
InChIInChI=1S/C12H25NS/c1-4-14-12-7-5-6-11(8-12)13-9-10(2)3/h10-13H,4-9H2,1-3H3
InChIKeyYMXJFYLWUOZZRM-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

N-ethyl-3-ethylsulfanylcyclohexan-1-amine
CID 64715277
3-ethylsulfanyl-N-(2-methylpentyl)cyclopentan-1-amine
CID 115907891
N-(2-methylpropyl)-3-methylsulfanylcyclopentan-1-amine
CID 115876615
ethane;N-(2-methylpropyl)cyclopentanamine
CID 156893756
2-methyl-3-[3-(propylamino)cyclohexyl]sulfanylpropan-1-ol
CID 66104134
N-(1-cyclobutylpropan-2-yl)-3-ethylsulfanylcyclopentan-1-amine
CID 115725131
2-amino-N-(3-ethylsulfanylcyclohexyl)acetamide;hydrochloride
CID 119343755
3-ethylsulfanyl-N-(2-ethylsulfanylethyl)cyclopentan-1-amine
CID 102672441
methanol;N-(2-methylpropyl)cyclopentanamine
CID 166557930
2-[(3-ethylsulfanylcyclopentyl)amino]-1-phenylethanol
CID 114123586
1-(3-ethylsulfanylcyclohexyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111751203
N-[2-[[N-(3-ethylsulfanylcyclohexyl)-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111997755

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of 3-ethylsulfanyl-N-(2-methylpropyl)cyclohexan-1-amine (CID 115876683) is 3-ethylsulfanyl-N-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 3-ethylsulfanyl-N-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for 3-ethylsulfanyl-N-(2-methylpropyl)cyclohexan-1-amine is CCSC1CCCC(NCC(C)C)C1.
What is the InChIKey of 3-ethylsulfanyl-N-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is YMXJFYLWUOZZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-4-14-12-7-5-6-11(8-12)13-9-10(2)3/h10-13H,4-9H2,1-3H3.
What are the key properties of 3-ethylsulfanyl-N-(2-methylpropyl)cyclohexan-1-amine?
3-ethylsulfanyl-N-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 215.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 115876683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).