2-(2,3-dimethylbut-2-enylsulfanyl)ethanamine

C8H17NS — CID 58684281

IUPAC2-(2,3-dimethylbut-2-enylsulfanyl)ethanamine
SMILESCC(C)=C(C)CSCCN
InChIInChI=1S/C8H17NS/c1-7(2)8(3)6-10-5-4-9/h4-6,9H2,1-3H3
InChIKeyTYNKVDYVRYLVJU-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.03
Rot. Bonds4

About 2-(2,3-dimethylbut-2-enylsulfanyl)ethanamine

2-(2,3-dimethylbut-2-enylsulfanyl)ethanamine (PubChem CID 58684281) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 2-(2,3-dimethylbut-2-enylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dimethylbut-2-enylsulfanyl)ethanamine
PubChem CID58684281
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name2-(2,3-dimethylbut-2-enylsulfanyl)ethanamine
SMILESCC(C)=C(C)CSCCN
InChIInChI=1S/C8H17NS/c1-7(2)8(3)6-10-5-4-9/h4-6,9H2,1-3H3
InChIKeyTYNKVDYVRYLVJU-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(Tert-butylsulfanyl)propan-1-amine
CID 22660299
2-(2-Methylprop-2-enylsulfanyl)ethanamine
CID 24692043
4-Tert-butylsulfanylbutan-1-amine
CID 43530053
2-(3-Methylbut-2-enylsulfanyl)propan-1-amine
CID 58683996
2-[(E)-2-methylbut-2-enyl]sulfanylethanamine
CID 58684213
1-(3-Methylbut-2-enylsulfanyl)propan-2-amine
CID 58684289
3-(3-Methylbut-2-enylsulfanyl)propan-1-amine
CID 58684385
3-(2,3-Dimethylbut-2-enylsulfanyl)propan-1-amine
CID 58684686
3-[(E)-2-methylbut-2-enyl]sulfanylpropan-1-amine
CID 58684732
3-(2-Methylprop-2-enylsulfanyl)propan-1-amine
CID 58684960
2-(2-Methylbut-2-enylsulfanyl)ethanamine
CID 72390994
3-(2-Methylbut-2-enylsulfanyl)propan-1-amine
CID 72391247

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbut-2-enylsulfanyl)ethanamine?
The IUPAC name of 2-(2,3-dimethylbut-2-enylsulfanyl)ethanamine (CID 58684281) is 2-(2,3-dimethylbut-2-enylsulfanyl)ethanamine.
What is the SMILES notation for 2-(2,3-dimethylbut-2-enylsulfanyl)ethanamine?
The canonical SMILES for 2-(2,3-dimethylbut-2-enylsulfanyl)ethanamine is CC(C)=C(C)CSCCN.
What is the InChIKey of 2-(2,3-dimethylbut-2-enylsulfanyl)ethanamine?
The InChIKey is TYNKVDYVRYLVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-7(2)8(3)6-10-5-4-9/h4-6,9H2,1-3H3.
What are the key properties of 2-(2,3-dimethylbut-2-enylsulfanyl)ethanamine?
2-(2,3-dimethylbut-2-enylsulfanyl)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-(2,3-dimethylbut-2-enylsulfanyl)ethanamine is sourced from PubChem (CID 58684281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).