2-(4-methylpent-3-en-2-ylsulfanyl)ethanamine

C8H17NS — CID 58685143

IUPAC2-(4-methylpent-3-en-2-ylsulfanyl)ethanamine
SMILESCC(C)=CC(C)SCCN
InChIInChI=1S/C8H17NS/c1-7(2)6-8(3)10-5-4-9/h6,8H,4-5,9H2,1-3H3
InChIKeyUGIXCTQOFYJUJO-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.03
Rot. Bonds4

About 2-(4-methylpent-3-en-2-ylsulfanyl)ethanamine

2-(4-methylpent-3-en-2-ylsulfanyl)ethanamine (PubChem CID 58685143) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 2-(4-methylpent-3-en-2-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(4-methylpent-3-en-2-ylsulfanyl)ethanamine
PubChem CID58685143
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name2-(4-methylpent-3-en-2-ylsulfanyl)ethanamine
SMILESCC(C)=CC(C)SCCN
InChIInChI=1S/C8H17NS/c1-7(2)6-8(3)10-5-4-9/h6,8H,4-5,9H2,1-3H3
InChIKeyUGIXCTQOFYJUJO-UHFFFAOYSA-N
XLogP2.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-methylpent-3-en-2-ylsulfanyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-Methylbut-2-enylsulfanyl)ethanamine
CID 24700698
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpent-3-en-2-ylsulfanyl)ethanamine?
The IUPAC name of 2-(4-methylpent-3-en-2-ylsulfanyl)ethanamine (CID 58685143) is 2-(4-methylpent-3-en-2-ylsulfanyl)ethanamine.
What is the SMILES notation for 2-(4-methylpent-3-en-2-ylsulfanyl)ethanamine?
The canonical SMILES for 2-(4-methylpent-3-en-2-ylsulfanyl)ethanamine is CC(C)=CC(C)SCCN.
What is the InChIKey of 2-(4-methylpent-3-en-2-ylsulfanyl)ethanamine?
The InChIKey is UGIXCTQOFYJUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-7(2)6-8(3)10-5-4-9/h6,8H,4-5,9H2,1-3H3.
What are the key properties of 2-(4-methylpent-3-en-2-ylsulfanyl)ethanamine?
2-(4-methylpent-3-en-2-ylsulfanyl)ethanamine has a molecular weight of 159.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpent-3-en-2-ylsulfanyl)ethanamine is sourced from PubChem (CID 58685143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).