2-cyclohexylsulfanyl-N-(3-ethoxypropyl)propan-1-amine

C14H29NOS — CID 62582253

IUPAC2-cyclohexylsulfanyl-N-(3-ethoxypropyl)propan-1-amine
SMILESCCOCCCNCC(C)SC1CCCCC1
InChIInChI=1S/C14H29NOS/c1-3-16-11-7-10-15-12-13(2)17-14-8-5-4-6-9-14/h13-15H,3-12H2,1-2H3
InChIKeyYDDSXQGGAPKFMX-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.46
Rot. Bonds9

About 2-cyclohexylsulfanyl-N-(3-ethoxypropyl)propan-1-amine

2-cyclohexylsulfanyl-N-(3-ethoxypropyl)propan-1-amine (PubChem CID 62582253) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-N-(3-ethoxypropyl)propan-1-amine.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-N-(3-ethoxypropyl)propan-1-amine
PubChem CID62582253
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name2-cyclohexylsulfanyl-N-(3-ethoxypropyl)propan-1-amine
SMILESCCOCCCNCC(C)SC1CCCCC1
InChIInChI=1S/C14H29NOS/c1-3-16-11-7-10-15-12-13(2)17-14-8-5-4-6-9-14/h13-15H,3-12H2,1-2H3
InChIKeyYDDSXQGGAPKFMX-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclohexylsulfanylpropyl)pentan-1-amine
CID 62582254
2-cyclohexyloxy-N-(3-ethoxypropyl)propan-1-amine
CID 55088192
N-(2-cyclopentylsulfanylethyl)-3-ethoxypropan-1-amine
CID 63115842
2-cyclopentyloxy-N-(3-ethoxypropyl)propan-1-amine
CID 62564975
N-(3-methoxypropyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-amine
CID 62722834
1-N-(3-ethoxypropyl)propane-1,2-diamine
CID 62568793
2-cyclobutyloxy-N-(3-ethoxypropyl)propan-1-amine
CID 62582894
N-(3-ethoxypropyl)-2,3-dimethylbutan-1-amine
CID 65175065
N-(3-ethoxypropyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 65175780
N-(3-ethoxypropyl)-2-methoxypropan-1-amine
CID 62565576
1-N-(3-ethoxypropyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62558176
N-(2-cyclohexylsulfanylpropyl)pentan-2-amine
CID 62579529

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-N-(3-ethoxypropyl)propan-1-amine?
The IUPAC name of 2-cyclohexylsulfanyl-N-(3-ethoxypropyl)propan-1-amine (CID 62582253) is 2-cyclohexylsulfanyl-N-(3-ethoxypropyl)propan-1-amine.
What is the SMILES notation for 2-cyclohexylsulfanyl-N-(3-ethoxypropyl)propan-1-amine?
The canonical SMILES for 2-cyclohexylsulfanyl-N-(3-ethoxypropyl)propan-1-amine is CCOCCCNCC(C)SC1CCCCC1.
What is the InChIKey of 2-cyclohexylsulfanyl-N-(3-ethoxypropyl)propan-1-amine?
The InChIKey is YDDSXQGGAPKFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-3-16-11-7-10-15-12-13(2)17-14-8-5-4-6-9-14/h13-15H,3-12H2,1-2H3.
What are the key properties of 2-cyclohexylsulfanyl-N-(3-ethoxypropyl)propan-1-amine?
2-cyclohexylsulfanyl-N-(3-ethoxypropyl)propan-1-amine has a molecular weight of 259.46 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-N-(3-ethoxypropyl)propan-1-amine is sourced from PubChem (CID 62582253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).