5-methylsulfanyl-N-propylpent-1-en-3-amine

C9H19NS — CID 89229161

IUPAC5-methylsulfanyl-N-propylpent-1-en-3-amine
SMILESC=CC(CCSC)NCCC
InChIInChI=1S/C9H19NS/c1-4-7-10-9(5-2)6-8-11-3/h5,9-10H,2,4,6-8H2,1,3H3
InChIKeyZUZICSYNNDLWEH-UHFFFAOYSA-N
MW173.33 g/mol
LogP2.29
Rot. Bonds7

About 5-methylsulfanyl-N-propylpent-1-en-3-amine

5-methylsulfanyl-N-propylpent-1-en-3-amine (PubChem CID 89229161) has the molecular formula C9H19NS and a molecular weight of 173.33 g/mol. Its IUPAC name is 5-methylsulfanyl-N-propylpent-1-en-3-amine.

Molecular Properties

Compound Name5-methylsulfanyl-N-propylpent-1-en-3-amine
PubChem CID89229161
Molecular FormulaC9H19NS
Molecular Weight173.33 g/mol
Exact Mass173.12
IUPAC Name5-methylsulfanyl-N-propylpent-1-en-3-amine
SMILESC=CC(CCSC)NCCC
InChIInChI=1S/C9H19NS/c1-4-7-10-9(5-2)6-8-11-3/h5,9-10H,2,4,6-8H2,1,3H3
InChIKeyZUZICSYNNDLWEH-UHFFFAOYSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
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-propylpent-1-en-3-amine?
The IUPAC name of 5-methylsulfanyl-N-propylpent-1-en-3-amine (CID 89229161) is 5-methylsulfanyl-N-propylpent-1-en-3-amine.
What is the SMILES notation for 5-methylsulfanyl-N-propylpent-1-en-3-amine?
The canonical SMILES for 5-methylsulfanyl-N-propylpent-1-en-3-amine is C=CC(CCSC)NCCC.
What is the InChIKey of 5-methylsulfanyl-N-propylpent-1-en-3-amine?
The InChIKey is ZUZICSYNNDLWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-4-7-10-9(5-2)6-8-11-3/h5,9-10H,2,4,6-8H2,1,3H3.
What are the key properties of 5-methylsulfanyl-N-propylpent-1-en-3-amine?
5-methylsulfanyl-N-propylpent-1-en-3-amine has a molecular weight of 173.33 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-N-propylpent-1-en-3-amine is sourced from PubChem (CID 89229161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).