2-(3,7,11-trimethyldodeca-2,4,6,8,10-pentaenylideneamino)ethanol

C17H25NO — CID 72660156

IUPAC2-(3,7,11-trimethyldodeca-2,4,6,8,10-pentaenylideneamino)ethanol
SMILESCC(C)=CC=CC(C)=CC=CC(C)=C/C=N/CCO
InChIInChI=1S/C17H25NO/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-18-13-14-19/h5-12,19H,13-14H2,1-4H3/b8-5?,10-6?,16-9?,17-11?,18-12+
InChIKeyQPNBEHFCNAWCEP-DBABKGCESA-N
MW259.39 g/mol
LogP4.02
Rot. Bonds7

About 2-(3,7,11-trimethyldodeca-2,4,6,8,10-pentaenylideneamino)ethanol

2-(3,7,11-trimethyldodeca-2,4,6,8,10-pentaenylideneamino)ethanol (PubChem CID 72660156) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-(3,7,11-trimethyldodeca-2,4,6,8,10-pentaenylideneamino)ethanol.

Molecular Properties

Compound Name2-(3,7,11-trimethyldodeca-2,4,6,8,10-pentaenylideneamino)ethanol
PubChem CID72660156
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-(3,7,11-trimethyldodeca-2,4,6,8,10-pentaenylideneamino)ethanol
SMILESCC(C)=CC=CC(C)=CC=CC(C)=C/C=N/CCO
InChIInChI=1S/C17H25NO/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-18-13-14-19/h5-12,19H,13-14H2,1-4H3/b8-5?,10-6?,16-9?,17-11?,18-12+
InChIKeyQPNBEHFCNAWCEP-DBABKGCESA-N
XLogP4.02
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.02
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-(3,7,11-trimethyldodeca-2,4,6,8,10-pentaenylideneamino)ethanol?
The IUPAC name of 2-(3,7,11-trimethyldodeca-2,4,6,8,10-pentaenylideneamino)ethanol (CID 72660156) is 2-(3,7,11-trimethyldodeca-2,4,6,8,10-pentaenylideneamino)ethanol.
What is the SMILES notation for 2-(3,7,11-trimethyldodeca-2,4,6,8,10-pentaenylideneamino)ethanol?
The canonical SMILES for 2-(3,7,11-trimethyldodeca-2,4,6,8,10-pentaenylideneamino)ethanol is CC(C)=CC=CC(C)=CC=CC(C)=C/C=N/CCO.
What is the InChIKey of 2-(3,7,11-trimethyldodeca-2,4,6,8,10-pentaenylideneamino)ethanol?
The InChIKey is QPNBEHFCNAWCEP-DBABKGCESA-N. The full InChI is InChI=1S/C17H25NO/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-18-13-14-19/h5-12,19H,13-14H2,1-4H3/b8-5?,10-6?,16-9?,17-11?,18-12+.
What are the key properties of 2-(3,7,11-trimethyldodeca-2,4,6,8,10-pentaenylideneamino)ethanol?
2-(3,7,11-trimethyldodeca-2,4,6,8,10-pentaenylideneamino)ethanol has a molecular weight of 259.39 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7,11-trimethyldodeca-2,4,6,8,10-pentaenylideneamino)ethanol is sourced from PubChem (CID 72660156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).