(3Z)-3-ethenyl-4-[2-(propylamino)ethyl]hexa-3,5-dien-1-ol

C13H23NO — CID 145138540

IUPAC(3Z)-3-ethenyl-4-[2-(propylamino)ethyl]hexa-3,5-dien-1-ol
SMILESC=C/C(CCO)=C(\C=C)CCNCCC
InChIInChI=1S/C13H23NO/c1-4-9-14-10-7-12(5-2)13(6-3)8-11-15/h5-6,14-15H,2-4,7-11H2,1H3/b13-12-
InChIKeyNAKNLVSQMICGAA-SEYXRHQNSA-N
MW209.33 g/mol
LogP2.43
Rot. Bonds9

About (3Z)-3-ethenyl-4-[2-(propylamino)ethyl]hexa-3,5-dien-1-ol

(3Z)-3-ethenyl-4-[2-(propylamino)ethyl]hexa-3,5-dien-1-ol (PubChem CID 145138540) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (3Z)-3-ethenyl-4-[2-(propylamino)ethyl]hexa-3,5-dien-1-ol.

Molecular Properties

Compound Name(3Z)-3-ethenyl-4-[2-(propylamino)ethyl]hexa-3,5-dien-1-ol
PubChem CID145138540
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(3Z)-3-ethenyl-4-[2-(propylamino)ethyl]hexa-3,5-dien-1-ol
SMILESC=C/C(CCO)=C(\C=C)CCNCCC
InChIInChI=1S/C13H23NO/c1-4-9-14-10-7-12(5-2)13(6-3)8-11-15/h5-6,14-15H,2-4,7-11H2,1H3/b13-12-
InChIKeyNAKNLVSQMICGAA-SEYXRHQNSA-N
XLogP2.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethenyl-4-[2-(propylamino)ethyl]hexa-3,5-dien-1-ol?
The IUPAC name of (3Z)-3-ethenyl-4-[2-(propylamino)ethyl]hexa-3,5-dien-1-ol (CID 145138540) is (3Z)-3-ethenyl-4-[2-(propylamino)ethyl]hexa-3,5-dien-1-ol.
What is the SMILES notation for (3Z)-3-ethenyl-4-[2-(propylamino)ethyl]hexa-3,5-dien-1-ol?
The canonical SMILES for (3Z)-3-ethenyl-4-[2-(propylamino)ethyl]hexa-3,5-dien-1-ol is C=C/C(CCO)=C(\C=C)CCNCCC.
What is the InChIKey of (3Z)-3-ethenyl-4-[2-(propylamino)ethyl]hexa-3,5-dien-1-ol?
The InChIKey is NAKNLVSQMICGAA-SEYXRHQNSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-9-14-10-7-12(5-2)13(6-3)8-11-15/h5-6,14-15H,2-4,7-11H2,1H3/b13-12-.
What are the key properties of (3Z)-3-ethenyl-4-[2-(propylamino)ethyl]hexa-3,5-dien-1-ol?
(3Z)-3-ethenyl-4-[2-(propylamino)ethyl]hexa-3,5-dien-1-ol has a molecular weight of 209.33 g/mol, XLogP of 2.43, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethenyl-4-[2-(propylamino)ethyl]hexa-3,5-dien-1-ol is sourced from PubChem (CID 145138540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).