(3Z,5Z)-3-(methylaminomethyl)octa-1,3,5,7-tetraen-4-ol

C10H15NO — CID 155140279

IUPAC(3Z,5Z)-3-(methylaminomethyl)octa-1,3,5,7-tetraen-4-ol
SMILESC=C/C=C\C(O)=C(/C=C)CNC
InChIInChI=1S/C10H15NO/c1-4-6-7-10(12)9(5-2)8-11-3/h4-7,11-12H,1-2,8H2,3H3/b7-6-,10-9-
InChIKeyNZCMETQXWQLDIH-HZJYTTRNSA-N
MW165.24 g/mol
LogP1.95
Rot. Bonds5

About (3Z,5Z)-3-(methylaminomethyl)octa-1,3,5,7-tetraen-4-ol

(3Z,5Z)-3-(methylaminomethyl)octa-1,3,5,7-tetraen-4-ol (PubChem CID 155140279) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (3Z,5Z)-3-(methylaminomethyl)octa-1,3,5,7-tetraen-4-ol.

Molecular Properties

Compound Name(3Z,5Z)-3-(methylaminomethyl)octa-1,3,5,7-tetraen-4-ol
PubChem CID155140279
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(3Z,5Z)-3-(methylaminomethyl)octa-1,3,5,7-tetraen-4-ol
SMILESC=C/C=C\C(O)=C(/C=C)CNC
InChIInChI=1S/C10H15NO/c1-4-6-7-10(12)9(5-2)8-11-3/h4-7,11-12H,1-2,8H2,3H3/b7-6-,10-9-
InChIKeyNZCMETQXWQLDIH-HZJYTTRNSA-N
XLogP1.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3-(methylaminomethyl)octa-1,3,5,7-tetraen-4-ol?
The IUPAC name of (3Z,5Z)-3-(methylaminomethyl)octa-1,3,5,7-tetraen-4-ol (CID 155140279) is (3Z,5Z)-3-(methylaminomethyl)octa-1,3,5,7-tetraen-4-ol.
What is the SMILES notation for (3Z,5Z)-3-(methylaminomethyl)octa-1,3,5,7-tetraen-4-ol?
The canonical SMILES for (3Z,5Z)-3-(methylaminomethyl)octa-1,3,5,7-tetraen-4-ol is C=C/C=C\C(O)=C(/C=C)CNC.
What is the InChIKey of (3Z,5Z)-3-(methylaminomethyl)octa-1,3,5,7-tetraen-4-ol?
The InChIKey is NZCMETQXWQLDIH-HZJYTTRNSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-6-7-10(12)9(5-2)8-11-3/h4-7,11-12H,1-2,8H2,3H3/b7-6-,10-9-.
What are the key properties of (3Z,5Z)-3-(methylaminomethyl)octa-1,3,5,7-tetraen-4-ol?
(3Z,5Z)-3-(methylaminomethyl)octa-1,3,5,7-tetraen-4-ol has a molecular weight of 165.24 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3-(methylaminomethyl)octa-1,3,5,7-tetraen-4-ol is sourced from PubChem (CID 155140279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).