3-(2-ethylcyclohexyl)sulfanylpropan-1-amine

C11H23NS — CID 66219569

IUPAC3-(2-ethylcyclohexyl)sulfanylpropan-1-amine
SMILESCCC1CCCCC1SCCCN
InChIInChI=1S/C11H23NS/c1-2-10-6-3-4-7-11(10)13-9-5-8-12/h10-11H,2-9,12H2,1H3
InChIKeyQYFUZNWLUVDUJA-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.04
Rot. Bonds5

About 3-(2-ethylcyclohexyl)sulfanylpropan-1-amine

3-(2-ethylcyclohexyl)sulfanylpropan-1-amine (PubChem CID 66219569) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 3-(2-ethylcyclohexyl)sulfanylpropan-1-amine.

Molecular Properties

Compound Name3-(2-ethylcyclohexyl)sulfanylpropan-1-amine
PubChem CID66219569
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name3-(2-ethylcyclohexyl)sulfanylpropan-1-amine
SMILESCCC1CCCCC1SCCCN
InChIInChI=1S/C11H23NS/c1-2-10-6-3-4-7-11(10)13-9-5-8-12/h10-11H,2-9,12H2,1H3
InChIKeyQYFUZNWLUVDUJA-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethylcyclohexyl)sulfanyl-2-methylpropan-2-amine
CID 66221451
2-amino-4-(2-ethylcyclohexyl)sulfanylbutanoic acid
CID 63863409
3-(2-ethylcyclohexyl)sulfanylbutan-1-amine
CID 66231198
2-(2-ethylcyclohexyl)sulfanylacetic acid
CID 63862645
[(1S,2R)-2-ethylcyclohexyl]methanamine
CID 124508805
3-(2-methyloxolan-3-yl)sulfanylpropan-1-amine
CID 58684021
CID 160611346
CID 160611346
2-(2-aminoethylsulfanyl)cyclopentan-1-amine
CID 80662216
3-[2-(3-aminopropyl)cyclohexyl]propan-1-amine
CID 67095749
3-(2-aminocycloheptyl)sulfanylpropan-1-ol
CID 66127718
7-amino-1-(2-ethylcyclohexyl)heptan-1-one
CID 116551389
trans-(1S,2S)-2-tetradecylsulfanylcyclohexan-1-ol
CID 121392157

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylcyclohexyl)sulfanylpropan-1-amine?
The IUPAC name of 3-(2-ethylcyclohexyl)sulfanylpropan-1-amine (CID 66219569) is 3-(2-ethylcyclohexyl)sulfanylpropan-1-amine.
What is the SMILES notation for 3-(2-ethylcyclohexyl)sulfanylpropan-1-amine?
The canonical SMILES for 3-(2-ethylcyclohexyl)sulfanylpropan-1-amine is CCC1CCCCC1SCCCN.
What is the InChIKey of 3-(2-ethylcyclohexyl)sulfanylpropan-1-amine?
The InChIKey is QYFUZNWLUVDUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-2-10-6-3-4-7-11(10)13-9-5-8-12/h10-11H,2-9,12H2,1H3.
What are the key properties of 3-(2-ethylcyclohexyl)sulfanylpropan-1-amine?
3-(2-ethylcyclohexyl)sulfanylpropan-1-amine has a molecular weight of 201.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylcyclohexyl)sulfanylpropan-1-amine is sourced from PubChem (CID 66219569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).