2-(3,7-dimethylocta-2,4,6-trienylideneamino)ethanol

C12H19NO — CID 72660200

IUPAC2-(3,7-dimethylocta-2,4,6-trienylideneamino)ethanol
SMILESCC(C)=CC=CC(C)=C/C=N/CCO
InChIInChI=1S/C12H19NO/c1-11(2)5-4-6-12(3)7-8-13-9-10-14/h4-8,14H,9-10H2,1-3H3/b6-4?,12-7?,13-8+
InChIKeyFJZMVCBGWUHTHT-SYPIBMJGSA-N
MW193.29 g/mol
LogP2.52
Rot. Bonds5

About 2-(3,7-dimethylocta-2,4,6-trienylideneamino)ethanol

2-(3,7-dimethylocta-2,4,6-trienylideneamino)ethanol (PubChem CID 72660200) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(3,7-dimethylocta-2,4,6-trienylideneamino)ethanol.

Molecular Properties

Compound Name2-(3,7-dimethylocta-2,4,6-trienylideneamino)ethanol
PubChem CID72660200
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(3,7-dimethylocta-2,4,6-trienylideneamino)ethanol
SMILESCC(C)=CC=CC(C)=C/C=N/CCO
InChIInChI=1S/C12H19NO/c1-11(2)5-4-6-12(3)7-8-13-9-10-14/h4-8,14H,9-10H2,1-3H3/b6-4?,12-7?,13-8+
InChIKeyFJZMVCBGWUHTHT-SYPIBMJGSA-N
XLogP2.52
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethylocta-2,4,6-trienylideneamino)ethanol?
The IUPAC name of 2-(3,7-dimethylocta-2,4,6-trienylideneamino)ethanol (CID 72660200) is 2-(3,7-dimethylocta-2,4,6-trienylideneamino)ethanol.
What is the SMILES notation for 2-(3,7-dimethylocta-2,4,6-trienylideneamino)ethanol?
The canonical SMILES for 2-(3,7-dimethylocta-2,4,6-trienylideneamino)ethanol is CC(C)=CC=CC(C)=C/C=N/CCO.
What is the InChIKey of 2-(3,7-dimethylocta-2,4,6-trienylideneamino)ethanol?
The InChIKey is FJZMVCBGWUHTHT-SYPIBMJGSA-N. The full InChI is InChI=1S/C12H19NO/c1-11(2)5-4-6-12(3)7-8-13-9-10-14/h4-8,14H,9-10H2,1-3H3/b6-4?,12-7?,13-8+.
What are the key properties of 2-(3,7-dimethylocta-2,4,6-trienylideneamino)ethanol?
2-(3,7-dimethylocta-2,4,6-trienylideneamino)ethanol has a molecular weight of 193.29 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethylocta-2,4,6-trienylideneamino)ethanol is sourced from PubChem (CID 72660200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).