3-(2,3-dimethylbut-2-enylsulfanyl)propan-1-amine

C9H19NS — CID 58684686

IUPAC3-(2,3-dimethylbut-2-enylsulfanyl)propan-1-amine
SMILESCC(C)=C(C)CSCCCN
InChIInChI=1S/C9H19NS/c1-8(2)9(3)7-11-6-4-5-10/h4-7,10H2,1-3H3
InChIKeyDXNGISZCAKLLPN-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.42
Rot. Bonds5

About 3-(2,3-dimethylbut-2-enylsulfanyl)propan-1-amine

3-(2,3-dimethylbut-2-enylsulfanyl)propan-1-amine (PubChem CID 58684686) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 3-(2,3-dimethylbut-2-enylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,3-dimethylbut-2-enylsulfanyl)propan-1-amine
PubChem CID58684686
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name3-(2,3-dimethylbut-2-enylsulfanyl)propan-1-amine
SMILESCC(C)=C(C)CSCCCN
InChIInChI=1S/C9H19NS/c1-8(2)9(3)7-11-6-4-5-10/h4-7,10H2,1-3H3
InChIKeyDXNGISZCAKLLPN-UHFFFAOYSA-N
XLogP2.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

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
2-(2,3-Dimethylbut-2-enylsulfanyl)ethanamine
CID 58684281
1-(3-Methylbut-2-enylsulfanyl)propan-2-amine
CID 58684289
3-(3-Methylbut-2-enylsulfanyl)propan-1-amine
CID 58684385
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 3-(2,3-dimethylbut-2-enylsulfanyl)propan-1-amine?
The IUPAC name of 3-(2,3-dimethylbut-2-enylsulfanyl)propan-1-amine (CID 58684686) is 3-(2,3-dimethylbut-2-enylsulfanyl)propan-1-amine.
What is the SMILES notation for 3-(2,3-dimethylbut-2-enylsulfanyl)propan-1-amine?
The canonical SMILES for 3-(2,3-dimethylbut-2-enylsulfanyl)propan-1-amine is CC(C)=C(C)CSCCCN.
What is the InChIKey of 3-(2,3-dimethylbut-2-enylsulfanyl)propan-1-amine?
The InChIKey is DXNGISZCAKLLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-8(2)9(3)7-11-6-4-5-10/h4-7,10H2,1-3H3.
What are the key properties of 3-(2,3-dimethylbut-2-enylsulfanyl)propan-1-amine?
3-(2,3-dimethylbut-2-enylsulfanyl)propan-1-amine has a molecular weight of 173.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylbut-2-enylsulfanyl)propan-1-amine is sourced from PubChem (CID 58684686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).