2-pentylsulfanylprop-2-en-1-amine

C8H17NS — CID 58150589

IUPAC2-pentylsulfanylprop-2-en-1-amine
SMILESC=C(CN)SCCCCC
InChIInChI=1S/C8H17NS/c1-3-4-5-6-10-8(2)7-9/h2-7,9H2,1H3
InChIKeyGVDGFYARHLKNOH-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.38
Rot. Bonds6

About 2-pentylsulfanylprop-2-en-1-amine

2-pentylsulfanylprop-2-en-1-amine (PubChem CID 58150589) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 2-pentylsulfanylprop-2-en-1-amine.

Molecular Properties

Compound Name2-pentylsulfanylprop-2-en-1-amine
PubChem CID58150589
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name2-pentylsulfanylprop-2-en-1-amine
SMILESC=C(CN)SCCCCC
InChIInChI=1S/C8H17NS/c1-3-4-5-6-10-8(2)7-9/h2-7,9H2,1H3
InChIKeyGVDGFYARHLKNOH-UHFFFAOYSA-N
XLogP2.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pentylsulfanylprop-2-en-1-amine?
The IUPAC name of 2-pentylsulfanylprop-2-en-1-amine (CID 58150589) is 2-pentylsulfanylprop-2-en-1-amine.
What is the SMILES notation for 2-pentylsulfanylprop-2-en-1-amine?
The canonical SMILES for 2-pentylsulfanylprop-2-en-1-amine is C=C(CN)SCCCCC.
What is the InChIKey of 2-pentylsulfanylprop-2-en-1-amine?
The InChIKey is GVDGFYARHLKNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-3-4-5-6-10-8(2)7-9/h2-7,9H2,1H3.
What are the key properties of 2-pentylsulfanylprop-2-en-1-amine?
2-pentylsulfanylprop-2-en-1-amine has a molecular weight of 159.30 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylsulfanylprop-2-en-1-amine is sourced from PubChem (CID 58150589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).