(2E,4E,8Z)-N,N-dimethylundeca-2,4,8-trienamide

C13H21NO — CID 11298718

IUPAC(2E,4E,8Z)-N,N-dimethylundeca-2,4,8-trienamide
SMILESCC/C=C\CC/C=C/C=C/C(=O)N(C)C
InChIInChI=1S/C13H21NO/c1-4-5-6-7-8-9-10-11-12-13(15)14(2)3/h5-6,9-12H,4,7-8H2,1-3H3/b6-5-,10-9+,12-11+
InChIKeyZCLPWZBAXCWPLJ-NDYRIVJFSA-N
MW207.32 g/mol
LogP2.93
Rot. Bonds6

About (2E,4E,8Z)-N,N-dimethylundeca-2,4,8-trienamide

(2E,4E,8Z)-N,N-dimethylundeca-2,4,8-trienamide (PubChem CID 11298718) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2E,4E,8Z)-N,N-dimethylundeca-2,4,8-trienamide.

Molecular Properties

Compound Name(2E,4E,8Z)-N,N-dimethylundeca-2,4,8-trienamide
PubChem CID11298718
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2E,4E,8Z)-N,N-dimethylundeca-2,4,8-trienamide
SMILESCC/C=C\CC/C=C/C=C/C(=O)N(C)C
InChIInChI=1S/C13H21NO/c1-4-5-6-7-8-9-10-11-12-13(15)14(2)3/h5-6,9-12H,4,7-8H2,1-3H3/b6-5-,10-9+,12-11+
InChIKeyZCLPWZBAXCWPLJ-NDYRIVJFSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-(dimethylamino)-N,N-dimethylhex-2-enamide
CID 44570055
2,4-Hexadienamide, N,N-dimethyl-, (2E,4E)-
CID 12892836
(Z)-N,N-diethylhept-2-enamide
CID 162678727
(E)-N,N-dimethylnon-2-enamide
CID 11458077
(E)-N,N-dimethylpent-2-enamide
CID 12423232
(E)-N,N-dimethylhex-2-enamide
CID 13508348
(E)-N,N,4-trimethylpent-2-enamide
CID 18711742
Pentenoic acid diethylamide
CID 53924574
(2e,4e)-N,N-dimethyldodeca-2,4-dienamide
CID 118028564
(2e,4e)-N,N-dimethyldeca-2,4-dienamide
CID 118028568
(2Z,4E)-N,N,2-trimethylnona-2,4-dienamide
CID 121013749
(Z)-N,N-dimethyloct-2-enamide
CID 134940860

Frequently Asked Questions

What is the IUPAC name of (2E,4E,8Z)-N,N-dimethylundeca-2,4,8-trienamide?
The IUPAC name of (2E,4E,8Z)-N,N-dimethylundeca-2,4,8-trienamide (CID 11298718) is (2E,4E,8Z)-N,N-dimethylundeca-2,4,8-trienamide.
What is the SMILES notation for (2E,4E,8Z)-N,N-dimethylundeca-2,4,8-trienamide?
The canonical SMILES for (2E,4E,8Z)-N,N-dimethylundeca-2,4,8-trienamide is CC/C=C\CC/C=C/C=C/C(=O)N(C)C.
What is the InChIKey of (2E,4E,8Z)-N,N-dimethylundeca-2,4,8-trienamide?
The InChIKey is ZCLPWZBAXCWPLJ-NDYRIVJFSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-5-6-7-8-9-10-11-12-13(15)14(2)3/h5-6,9-12H,4,7-8H2,1-3H3/b6-5-,10-9+,12-11+.
What are the key properties of (2E,4E,8Z)-N,N-dimethylundeca-2,4,8-trienamide?
(2E,4E,8Z)-N,N-dimethylundeca-2,4,8-trienamide has a molecular weight of 207.32 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,8Z)-N,N-dimethylundeca-2,4,8-trienamide is sourced from PubChem (CID 11298718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).