2-[(2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaenylidene)amino]ethyl acetate

C19H25NO2 — CID 72660170

IUPAC2-[(2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaenylidene)amino]ethyl acetate
SMILESC=CC(=C)C=CC=C(C)C=CC=C(C)/C=N/CCOC(C)=O
InChIInChI=1S/C19H25NO2/c1-6-16(2)9-7-10-17(3)11-8-12-18(4)15-20-13-14-22-19(5)21/h6-12,15H,1-2,13-14H2,3-5H3/b9-7?,11-8?,17-10?,18-12?,20-15+
InChIKeyBMKKZSZVOVEERK-MRNYLQLFSA-N
MW299.41 g/mol
LogP4.37
Rot. Bonds9

About 2-[(2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaenylidene)amino]ethyl acetate

2-[(2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaenylidene)amino]ethyl acetate (PubChem CID 72660170) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-[(2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaenylidene)amino]ethyl acetate.

Molecular Properties

Compound Name2-[(2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaenylidene)amino]ethyl acetate
PubChem CID72660170
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name2-[(2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaenylidene)amino]ethyl acetate
SMILESC=CC(=C)C=CC=C(C)C=CC=C(C)/C=N/CCOC(C)=O
InChIInChI=1S/C19H25NO2/c1-6-16(2)9-7-10-17(3)11-8-12-18(4)15-20-13-14-22-19(5)21/h6-12,15H,1-2,13-14H2,3-5H3/b9-7?,11-8?,17-10?,18-12?,20-15+
InChIKeyBMKKZSZVOVEERK-MRNYLQLFSA-N
XLogP4.37
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.37
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': 'polyene', 'substructure': 'N/A'}

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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-(3,7-Dimethylocta-2,4,6-trienylideneamino)ethyl acetate
CID 72660174
2-(3,7,11-Trimethyldodeca-2,6,10-trienylideneamino)ethyl acetate
CID 72660185
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-[(2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaenylidene)amino]ethyl acetate?
The IUPAC name of 2-[(2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaenylidene)amino]ethyl acetate (CID 72660170) is 2-[(2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaenylidene)amino]ethyl acetate.
What is the SMILES notation for 2-[(2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaenylidene)amino]ethyl acetate?
The canonical SMILES for 2-[(2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaenylidene)amino]ethyl acetate is C=CC(=C)C=CC=C(C)C=CC=C(C)/C=N/CCOC(C)=O.
What is the InChIKey of 2-[(2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaenylidene)amino]ethyl acetate?
The InChIKey is BMKKZSZVOVEERK-MRNYLQLFSA-N. The full InChI is InChI=1S/C19H25NO2/c1-6-16(2)9-7-10-17(3)11-8-12-18(4)15-20-13-14-22-19(5)21/h6-12,15H,1-2,13-14H2,3-5H3/b9-7?,11-8?,17-10?,18-12?,20-15+.
What are the key properties of 2-[(2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaenylidene)amino]ethyl acetate?
2-[(2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaenylidene)amino]ethyl acetate has a molecular weight of 299.41 g/mol, XLogP of 4.37, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaenylidene)amino]ethyl acetate is sourced from PubChem (CID 72660170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).