2-(5-methylhex-4-enylsulfinyl)ethanamine

C9H19NOS — CID 58685047

IUPAC2-(5-methylhex-4-enylsulfinyl)ethanamine
SMILESCC(C)=CCCCS(=O)CCN
InChIInChI=1S/C9H19NOS/c1-9(2)5-3-4-7-12(11)8-6-10/h5H,3-4,6-8,10H2,1-2H3
InChIKeyIZKVAWQJOONPKE-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.44
Rot. Bonds6

About 2-(5-methylhex-4-enylsulfinyl)ethanamine

2-(5-methylhex-4-enylsulfinyl)ethanamine (PubChem CID 58685047) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 2-(5-methylhex-4-enylsulfinyl)ethanamine.

Molecular Properties

Compound Name2-(5-methylhex-4-enylsulfinyl)ethanamine
PubChem CID58685047
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name2-(5-methylhex-4-enylsulfinyl)ethanamine
SMILESCC(C)=CCCCS(=O)CCN
InChIInChI=1S/C9H19NOS/c1-9(2)5-3-4-7-12(11)8-6-10/h5H,3-4,6-8,10H2,1-2H3
InChIKeyIZKVAWQJOONPKE-UHFFFAOYSA-N
XLogP1.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.44
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-(5-Methylhex-4-enylsulfinyl)propan-1-amine
CID 58684183
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

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylhex-4-enylsulfinyl)ethanamine?
The IUPAC name of 2-(5-methylhex-4-enylsulfinyl)ethanamine (CID 58685047) is 2-(5-methylhex-4-enylsulfinyl)ethanamine.
What is the SMILES notation for 2-(5-methylhex-4-enylsulfinyl)ethanamine?
The canonical SMILES for 2-(5-methylhex-4-enylsulfinyl)ethanamine is CC(C)=CCCCS(=O)CCN.
What is the InChIKey of 2-(5-methylhex-4-enylsulfinyl)ethanamine?
The InChIKey is IZKVAWQJOONPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-9(2)5-3-4-7-12(11)8-6-10/h5H,3-4,6-8,10H2,1-2H3.
What are the key properties of 2-(5-methylhex-4-enylsulfinyl)ethanamine?
2-(5-methylhex-4-enylsulfinyl)ethanamine has a molecular weight of 189.32 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylhex-4-enylsulfinyl)ethanamine is sourced from PubChem (CID 58685047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).