5-methylsulfanyl-N,N-dipropylpent-1-en-3-amine

C12H25NS — CID 88885670

IUPAC5-methylsulfanyl-N,N-dipropylpent-1-en-3-amine
SMILESC=CC(CCSC)N(CCC)CCC
InChIInChI=1S/C12H25NS/c1-5-9-13(10-6-2)12(7-3)8-11-14-4/h7,12H,3,5-6,8-11H2,1-2,4H3
InChIKeyKWYHXIHHPGICNK-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.42
Rot. Bonds9

About 5-methylsulfanyl-N,N-dipropylpent-1-en-3-amine

5-methylsulfanyl-N,N-dipropylpent-1-en-3-amine (PubChem CID 88885670) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 5-methylsulfanyl-N,N-dipropylpent-1-en-3-amine.

Molecular Properties

Compound Name5-methylsulfanyl-N,N-dipropylpent-1-en-3-amine
PubChem CID88885670
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name5-methylsulfanyl-N,N-dipropylpent-1-en-3-amine
SMILESC=CC(CCSC)N(CCC)CCC
InChIInChI=1S/C12H25NS/c1-5-9-13(10-6-2)12(7-3)8-11-14-4/h7,12H,3,5-6,8-11H2,1-2,4H3
InChIKeyKWYHXIHHPGICNK-UHFFFAOYSA-N
XLogP3.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-N,N-dipropylpent-1-en-3-amine?
The IUPAC name of 5-methylsulfanyl-N,N-dipropylpent-1-en-3-amine (CID 88885670) is 5-methylsulfanyl-N,N-dipropylpent-1-en-3-amine.
What is the SMILES notation for 5-methylsulfanyl-N,N-dipropylpent-1-en-3-amine?
The canonical SMILES for 5-methylsulfanyl-N,N-dipropylpent-1-en-3-amine is C=CC(CCSC)N(CCC)CCC.
What is the InChIKey of 5-methylsulfanyl-N,N-dipropylpent-1-en-3-amine?
The InChIKey is KWYHXIHHPGICNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-5-9-13(10-6-2)12(7-3)8-11-14-4/h7,12H,3,5-6,8-11H2,1-2,4H3.
What are the key properties of 5-methylsulfanyl-N,N-dipropylpent-1-en-3-amine?
5-methylsulfanyl-N,N-dipropylpent-1-en-3-amine has a molecular weight of 215.41 g/mol, XLogP of 3.42, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-N,N-dipropylpent-1-en-3-amine is sourced from PubChem (CID 88885670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).