(4E,6Z)-1-(methylamino)nona-4,6,8-trien-1-ol

C10H17NO — CID 153499463

IUPAC(4E,6Z)-1-(methylamino)nona-4,6,8-trien-1-ol
SMILESC=C/C=C\C=C\CCC(O)NC
InChIInChI=1S/C10H17NO/c1-3-4-5-6-7-8-9-10(12)11-2/h3-7,10-12H,1,8-9H2,2H3/b5-4-,7-6+
InChIKeyBBJIWJSZOHXXGR-SCFJQAPRSA-N
MW167.25 g/mol
LogP1.60
Rot. Bonds6

About (4E,6Z)-1-(methylamino)nona-4,6,8-trien-1-ol

(4E,6Z)-1-(methylamino)nona-4,6,8-trien-1-ol (PubChem CID 153499463) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (4E,6Z)-1-(methylamino)nona-4,6,8-trien-1-ol.

Molecular Properties

Compound Name(4E,6Z)-1-(methylamino)nona-4,6,8-trien-1-ol
PubChem CID153499463
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(4E,6Z)-1-(methylamino)nona-4,6,8-trien-1-ol
SMILESC=C/C=C\C=C\CCC(O)NC
InChIInChI=1S/C10H17NO/c1-3-4-5-6-7-8-9-10(12)11-2/h3-7,10-12H,1,8-9H2,2H3/b5-4-,7-6+
InChIKeyBBJIWJSZOHXXGR-SCFJQAPRSA-N
XLogP1.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.60
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-1-(methylamino)nona-4,6,8-trien-1-ol?
The IUPAC name of (4E,6Z)-1-(methylamino)nona-4,6,8-trien-1-ol (CID 153499463) is (4E,6Z)-1-(methylamino)nona-4,6,8-trien-1-ol.
What is the SMILES notation for (4E,6Z)-1-(methylamino)nona-4,6,8-trien-1-ol?
The canonical SMILES for (4E,6Z)-1-(methylamino)nona-4,6,8-trien-1-ol is C=C/C=C\C=C\CCC(O)NC.
What is the InChIKey of (4E,6Z)-1-(methylamino)nona-4,6,8-trien-1-ol?
The InChIKey is BBJIWJSZOHXXGR-SCFJQAPRSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-4-5-6-7-8-9-10(12)11-2/h3-7,10-12H,1,8-9H2,2H3/b5-4-,7-6+.
What are the key properties of (4E,6Z)-1-(methylamino)nona-4,6,8-trien-1-ol?
(4E,6Z)-1-(methylamino)nona-4,6,8-trien-1-ol has a molecular weight of 167.25 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-1-(methylamino)nona-4,6,8-trien-1-ol is sourced from PubChem (CID 153499463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).