3-(2-ethylhexylsulfanyl)propan-1-amine

C11H25NS — CID 66218302

IUPAC3-(2-ethylhexylsulfanyl)propan-1-amine
SMILESCCCCC(CC)CSCCCN
InChIInChI=1S/C11H25NS/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11H,3-10,12H2,1-2H3
InChIKeyIREBPWYPAZVMTQ-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.28
Rot. Bonds9

About 3-(2-ethylhexylsulfanyl)propan-1-amine

3-(2-ethylhexylsulfanyl)propan-1-amine (PubChem CID 66218302) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is 3-(2-ethylhexylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-ethylhexylsulfanyl)propan-1-amine
PubChem CID66218302
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC Name3-(2-ethylhexylsulfanyl)propan-1-amine
SMILESCCCCC(CC)CSCCCN
InChIInChI=1S/C11H25NS/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11H,3-10,12H2,1-2H3
InChIKeyIREBPWYPAZVMTQ-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.28
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

3-(butylsulfanylmethyl)heptane
CID 54216540
(3S)-3-[[(2R)-2-ethylhexyl]sulfanylmethyl]heptane
CID 92525109
3-(2-ethylhexylsulfanyl)-2-methylpropan-1-amine
CID 66224282
(2S)-2-ethylhexan-1-amine
CID 6999997
3-(heptan-3-ylsulfanylmethyl)heptane
CID 134593171
2-ethylhexan-1-amine;hydrate
CID 173045208
2-ethylhexan-1-amine;dihydrochloride
CID 142641821
antimony(3+);tris(2-(2-ethylhexylsulfanyl)acetate)
CID 173393859
(2R)-2-(dodecylsulfanylmethyl)dodecan-1-ol
CID 142755601
N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(4S)-4-ethyloctyl]amino]propyl]propane-1,3-diamine
CID 134527343
4-pentylsulfanylbutan-1-amine
CID 82180242
12-ethyltetradecan-1-amine
CID 87456130

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexylsulfanyl)propan-1-amine?
The IUPAC name of 3-(2-ethylhexylsulfanyl)propan-1-amine (CID 66218302) is 3-(2-ethylhexylsulfanyl)propan-1-amine.
What is the SMILES notation for 3-(2-ethylhexylsulfanyl)propan-1-amine?
The canonical SMILES for 3-(2-ethylhexylsulfanyl)propan-1-amine is CCCCC(CC)CSCCCN.
What is the InChIKey of 3-(2-ethylhexylsulfanyl)propan-1-amine?
The InChIKey is IREBPWYPAZVMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11H,3-10,12H2,1-2H3.
What are the key properties of 3-(2-ethylhexylsulfanyl)propan-1-amine?
3-(2-ethylhexylsulfanyl)propan-1-amine has a molecular weight of 203.39 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexylsulfanyl)propan-1-amine is sourced from PubChem (CID 66218302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).