3-(5-methylhex-4-enylsulfinyl)propan-1-amine

C10H21NOS — CID 58684183

IUPAC3-(5-methylhex-4-enylsulfinyl)propan-1-amine
SMILESCC(C)=CCCCS(=O)CCCN
InChIInChI=1S/C10H21NOS/c1-10(2)6-3-4-8-13(12)9-5-7-11/h6H,3-5,7-9,11H2,1-2H3
InChIKeyGFCUSDFTWFRBTL-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.83
Rot. Bonds7

About 3-(5-methylhex-4-enylsulfinyl)propan-1-amine

3-(5-methylhex-4-enylsulfinyl)propan-1-amine (PubChem CID 58684183) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-(5-methylhex-4-enylsulfinyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-methylhex-4-enylsulfinyl)propan-1-amine
PubChem CID58684183
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-(5-methylhex-4-enylsulfinyl)propan-1-amine
SMILESCC(C)=CCCCS(=O)CCCN
InChIInChI=1S/C10H21NOS/c1-10(2)6-3-4-8-13(12)9-5-7-11/h6H,3-5,7-9,11H2,1-2H3
InChIKeyGFCUSDFTWFRBTL-UHFFFAOYSA-N
XLogP1.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylethanamine
CID 19802882
2-[(E)-3-methylpent-3-en-2-yl]sulfanylethanamine
CID 176430969
2-[(2E)-3,7-dimethylocta-2,6-dienyl]sulfanylethanamine
CID 14537476
2-[(3,7-Dimethylocta-2,6-dien-1-yl)sulfanyl]ethan-1-amine
CID 54347198
2-(3,7,11-Trimethyldodeca-2,6,10-trienylsulfanyl)ethanamine
CID 54528726
3-Cyclopent-2-en-1-ylsulfinylpropan-1-amine
CID 58684044
2-[(4-Methylpent-3-en-1-yl)sulfanyl]ethan-1-amine
CID 58684050
3-(4-Methylpent-3-enylsulfanyl)propan-1-amine
CID 58684137
3-[(E)-2-methylbut-2-enyl]sulfinylpropan-1-amine
CID 58684305
3-(4-Methylpent-3-enylsulfinyl)propan-1-amine
CID 58684375
2-(4-Methylpent-3-enylsulfonyl)ethanamine
CID 58684442
2-(5-Methylhex-4-enylsulfanyl)ethanamine
CID 58684584

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylhex-4-enylsulfinyl)propan-1-amine?
The IUPAC name of 3-(5-methylhex-4-enylsulfinyl)propan-1-amine (CID 58684183) is 3-(5-methylhex-4-enylsulfinyl)propan-1-amine.
What is the SMILES notation for 3-(5-methylhex-4-enylsulfinyl)propan-1-amine?
The canonical SMILES for 3-(5-methylhex-4-enylsulfinyl)propan-1-amine is CC(C)=CCCCS(=O)CCCN.
What is the InChIKey of 3-(5-methylhex-4-enylsulfinyl)propan-1-amine?
The InChIKey is GFCUSDFTWFRBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-10(2)6-3-4-8-13(12)9-5-7-11/h6H,3-5,7-9,11H2,1-2H3.
What are the key properties of 3-(5-methylhex-4-enylsulfinyl)propan-1-amine?
3-(5-methylhex-4-enylsulfinyl)propan-1-amine has a molecular weight of 203.35 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylhex-4-enylsulfinyl)propan-1-amine is sourced from PubChem (CID 58684183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).