(3Z)-11-(methylamino)undeca-1,3-dien-6-ol

C12H23NO — CID 156552309

IUPAC(3Z)-11-(methylamino)undeca-1,3-dien-6-ol
SMILESC=C/C=C\CC(O)CCCCCNC
InChIInChI=1S/C12H23NO/c1-3-4-6-9-12(14)10-7-5-8-11-13-2/h3-4,6,12-14H,1,5,7-11H2,2H3/b6-4-
InChIKeyAGUFMWRJIQTQDZ-XQRVVYSFSA-N
MW197.32 g/mol
LogP2.26
Rot. Bonds9

About (3Z)-11-(methylamino)undeca-1,3-dien-6-ol

(3Z)-11-(methylamino)undeca-1,3-dien-6-ol (PubChem CID 156552309) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (3Z)-11-(methylamino)undeca-1,3-dien-6-ol.

Molecular Properties

Compound Name(3Z)-11-(methylamino)undeca-1,3-dien-6-ol
PubChem CID156552309
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(3Z)-11-(methylamino)undeca-1,3-dien-6-ol
SMILESC=C/C=C\CC(O)CCCCCNC
InChIInChI=1S/C12H23NO/c1-3-4-6-9-12(14)10-7-5-8-11-13-2/h3-4,6,12-14H,1,5,7-11H2,2H3/b6-4-
InChIKeyAGUFMWRJIQTQDZ-XQRVVYSFSA-N
XLogP2.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.26
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)-11-(methylamino)undeca-1,3-dien-6-ol?
The IUPAC name of (3Z)-11-(methylamino)undeca-1,3-dien-6-ol (CID 156552309) is (3Z)-11-(methylamino)undeca-1,3-dien-6-ol.
What is the SMILES notation for (3Z)-11-(methylamino)undeca-1,3-dien-6-ol?
The canonical SMILES for (3Z)-11-(methylamino)undeca-1,3-dien-6-ol is C=C/C=C\CC(O)CCCCCNC.
What is the InChIKey of (3Z)-11-(methylamino)undeca-1,3-dien-6-ol?
The InChIKey is AGUFMWRJIQTQDZ-XQRVVYSFSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-4-6-9-12(14)10-7-5-8-11-13-2/h3-4,6,12-14H,1,5,7-11H2,2H3/b6-4-.
What are the key properties of (3Z)-11-(methylamino)undeca-1,3-dien-6-ol?
(3Z)-11-(methylamino)undeca-1,3-dien-6-ol has a molecular weight of 197.32 g/mol, XLogP of 2.26, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-11-(methylamino)undeca-1,3-dien-6-ol is sourced from PubChem (CID 156552309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).