1-(propylamino)but-3-en-1-ol

C7H15NO — CID 121330196

IUPAC1-(propylamino)but-3-en-1-ol
SMILESC=CCC(O)NCCC
InChIInChI=1S/C7H15NO/c1-3-5-7(9)8-6-4-2/h3,7-9H,1,4-6H2,2H3
InChIKeyCRSUXPBRZUROPR-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.88
Rot. Bonds5

About 1-(propylamino)but-3-en-1-ol

1-(propylamino)but-3-en-1-ol (PubChem CID 121330196) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-(propylamino)but-3-en-1-ol.

Molecular Properties

Compound Name1-(propylamino)but-3-en-1-ol
PubChem CID121330196
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-(propylamino)but-3-en-1-ol
SMILESC=CCC(O)NCCC
InChIInChI=1S/C7H15NO/c1-3-5-7(9)8-6-4-2/h3,7-9H,1,4-6H2,2H3
InChIKeyCRSUXPBRZUROPR-UHFFFAOYSA-N
XLogP0.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(propylamino)but-3-en-1-ol?
The IUPAC name of 1-(propylamino)but-3-en-1-ol (CID 121330196) is 1-(propylamino)but-3-en-1-ol.
What is the SMILES notation for 1-(propylamino)but-3-en-1-ol?
The canonical SMILES for 1-(propylamino)but-3-en-1-ol is C=CCC(O)NCCC.
What is the InChIKey of 1-(propylamino)but-3-en-1-ol?
The InChIKey is CRSUXPBRZUROPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-5-7(9)8-6-4-2/h3,7-9H,1,4-6H2,2H3.
What are the key properties of 1-(propylamino)but-3-en-1-ol?
1-(propylamino)but-3-en-1-ol has a molecular weight of 129.20 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylamino)but-3-en-1-ol is sourced from PubChem (CID 121330196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).