(E)-6-(propylamino)hex-3-en-1-ol

C9H19NO — CID 143703504

IUPAC(E)-6-(propylamino)hex-3-en-1-ol
SMILESCCCNCC/C=C/CCO
InChIInChI=1S/C9H19NO/c1-2-7-10-8-5-3-4-6-9-11/h3-4,10-11H,2,5-9H2,1H3/b4-3+
InChIKeyVACVGMIVRIIAEM-ONEGZZNKSA-N
MW157.26 g/mol
LogP1.31
Rot. Bonds7

About (E)-6-(propylamino)hex-3-en-1-ol

(E)-6-(propylamino)hex-3-en-1-ol (PubChem CID 143703504) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (E)-6-(propylamino)hex-3-en-1-ol.

Molecular Properties

Compound Name(E)-6-(propylamino)hex-3-en-1-ol
PubChem CID143703504
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(E)-6-(propylamino)hex-3-en-1-ol
SMILESCCCNCC/C=C/CCO
InChIInChI=1S/C9H19NO/c1-2-7-10-8-5-3-4-6-9-11/h3-4,10-11H,2,5-9H2,1H3/b4-3+
InChIKeyVACVGMIVRIIAEM-ONEGZZNKSA-N
XLogP1.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.31
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (E)-6-(propylamino)hex-3-en-1-ol?
The IUPAC name of (E)-6-(propylamino)hex-3-en-1-ol (CID 143703504) is (E)-6-(propylamino)hex-3-en-1-ol.
What is the SMILES notation for (E)-6-(propylamino)hex-3-en-1-ol?
The canonical SMILES for (E)-6-(propylamino)hex-3-en-1-ol is CCCNCC/C=C/CCO.
What is the InChIKey of (E)-6-(propylamino)hex-3-en-1-ol?
The InChIKey is VACVGMIVRIIAEM-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H19NO/c1-2-7-10-8-5-3-4-6-9-11/h3-4,10-11H,2,5-9H2,1H3/b4-3+.
What are the key properties of (E)-6-(propylamino)hex-3-en-1-ol?
(E)-6-(propylamino)hex-3-en-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(propylamino)hex-3-en-1-ol is sourced from PubChem (CID 143703504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).