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

C9H19NS — CID 58684584

IUPAC2-(5-methylhex-4-enylsulfanyl)ethanamine
SMILESCC(C)=CCCCSCCN
InChIInChI=1S/C9H19NS/c1-9(2)5-3-4-7-11-8-6-10/h5H,3-4,6-8,10H2,1-2H3
InChIKeyAAOKDQFDCLUULJ-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.42
Rot. Bonds6

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

2-(5-methylhex-4-enylsulfanyl)ethanamine (PubChem CID 58684584) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 2-(5-methylhex-4-enylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(5-methylhex-4-enylsulfanyl)ethanamine
PubChem CID58684584
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name2-(5-methylhex-4-enylsulfanyl)ethanamine
SMILESCC(C)=CCCCSCCN
InChIInChI=1S/C9H19NS/c1-9(2)5-3-4-7-11-8-6-10/h5H,3-4,6-8,10H2,1-2H3
InChIKeyAAOKDQFDCLUULJ-UHFFFAOYSA-N
XLogP2.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.42
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-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]sulfanylethanamine
CID 15234937
2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanylethanamine
CID 19802880
2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]sulfanylethanamine
CID 19802883
2-(3,7,11,15,19,23,27,31,35,39-Decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaen-1-ylthio)ethylamine
CID 53686948
2-(3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaen-1-ylthio)ethylamine
CID 53878528
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
2-(3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraen-1-ylthio)ethylamine
CID 54561366
1-isocyano-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylethanamine
CID 58167643

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylhex-4-enylsulfanyl)ethanamine?
The IUPAC name of 2-(5-methylhex-4-enylsulfanyl)ethanamine (CID 58684584) is 2-(5-methylhex-4-enylsulfanyl)ethanamine.
What is the SMILES notation for 2-(5-methylhex-4-enylsulfanyl)ethanamine?
The canonical SMILES for 2-(5-methylhex-4-enylsulfanyl)ethanamine is CC(C)=CCCCSCCN.
What is the InChIKey of 2-(5-methylhex-4-enylsulfanyl)ethanamine?
The InChIKey is AAOKDQFDCLUULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-9(2)5-3-4-7-11-8-6-10/h5H,3-4,6-8,10H2,1-2H3.
What are the key properties of 2-(5-methylhex-4-enylsulfanyl)ethanamine?
2-(5-methylhex-4-enylsulfanyl)ethanamine has a molecular weight of 173.32 g/mol, XLogP of 2.42, 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-enylsulfanyl)ethanamine is sourced from PubChem (CID 58684584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).