2-(3,7,11-trimethyldodeca-2,6,10-trienylideneamino)ethyl acetate

C19H31NO2 — CID 72660185

IUPAC2-(3,7,11-trimethyldodeca-2,6,10-trienylideneamino)ethyl acetate
SMILESCC(=O)OCC/N=C/C=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C19H31NO2/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-20-14-15-22-19(5)21/h8,10,12-13H,6-7,9,11,14-15H2,1-5H3/b17-10?,18-12?,20-13+
InChIKeyAXAZLWHBHVYUPQ-WDZRWHMOSA-N
MW305.46 g/mol
LogP5.04
Rot. Bonds10

About 2-(3,7,11-trimethyldodeca-2,6,10-trienylideneamino)ethyl acetate

2-(3,7,11-trimethyldodeca-2,6,10-trienylideneamino)ethyl acetate (PubChem CID 72660185) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 2-(3,7,11-trimethyldodeca-2,6,10-trienylideneamino)ethyl acetate.

Molecular Properties

Compound Name2-(3,7,11-trimethyldodeca-2,6,10-trienylideneamino)ethyl acetate
PubChem CID72660185
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name2-(3,7,11-trimethyldodeca-2,6,10-trienylideneamino)ethyl acetate
SMILESCC(=O)OCC/N=C/C=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C19H31NO2/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-20-14-15-22-19(5)21/h8,10,12-13H,6-7,9,11,14-15H2,1-5H3/b17-10?,18-12?,20-13+
InChIKeyAXAZLWHBHVYUPQ-WDZRWHMOSA-N
XLogP5.04
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.46
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3,7,11-trimethyldodeca-2,6,10-trienylideneamino)ethyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienylidene]amino]ethyl acetate
CID 60138454
2-[[(2E,4E,6E,8E)-2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaenylidene]amino]ethyl acetate
CID 60138464
2-[[(2E,4E)-3,7-dimethylocta-2,4,6-trienylidene]amino]ethyl acetate
CID 60138468
2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienylidene]amino]ethyl acetate
CID 60138480
2-[[(2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaenylidene]amino]ethyl acetate
CID 60138481
2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethyl acetate
CID 60138492
2-[[(2E)-2-methyl-6-methylideneocta-2,7-dienylidene]amino]ethyl acetate
CID 60138509
2-[[(2E,4E)-2-methyl-6-methylideneocta-2,4,7-trienylidene]amino]ethyl acetate
CID 60138512
2-[(2,6-Dimethyl-10-methylidenedodeca-2,6,11-trienylidene)amino]ethyl acetate
CID 72660160
2-[(2,6-Dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaenylidene)amino]ethyl acetate
CID 72660170
2-(3,7-Dimethylocta-2,4,6-trienylideneamino)ethyl acetate
CID 72660174
2-(3,7,11-Trimethyldodeca-2,4,6,8,10-pentaenylideneamino)ethyl acetate
CID 72660186

Frequently Asked Questions

What is the IUPAC name of 2-(3,7,11-trimethyldodeca-2,6,10-trienylideneamino)ethyl acetate?
The IUPAC name of 2-(3,7,11-trimethyldodeca-2,6,10-trienylideneamino)ethyl acetate (CID 72660185) is 2-(3,7,11-trimethyldodeca-2,6,10-trienylideneamino)ethyl acetate.
What is the SMILES notation for 2-(3,7,11-trimethyldodeca-2,6,10-trienylideneamino)ethyl acetate?
The canonical SMILES for 2-(3,7,11-trimethyldodeca-2,6,10-trienylideneamino)ethyl acetate is CC(=O)OCC/N=C/C=C(C)CCC=C(C)CCC=C(C)C.
What is the InChIKey of 2-(3,7,11-trimethyldodeca-2,6,10-trienylideneamino)ethyl acetate?
The InChIKey is AXAZLWHBHVYUPQ-WDZRWHMOSA-N. The full InChI is InChI=1S/C19H31NO2/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-20-14-15-22-19(5)21/h8,10,12-13H,6-7,9,11,14-15H2,1-5H3/b17-10?,18-12?,20-13+.
What are the key properties of 2-(3,7,11-trimethyldodeca-2,6,10-trienylideneamino)ethyl acetate?
2-(3,7,11-trimethyldodeca-2,6,10-trienylideneamino)ethyl acetate has a molecular weight of 305.46 g/mol, XLogP of 5.04, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7,11-trimethyldodeca-2,6,10-trienylideneamino)ethyl acetate is sourced from PubChem (CID 72660185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).