(2Z,4E)-N,N,2-trimethylnona-2,4-dienamide

C12H21NO — CID 121013749

IUPAC(2Z,4E)-N,N,2-trimethylnona-2,4-dienamide
SMILESCCCC/C=C/C=C(/C)C(=O)N(C)C
InChIInChI=1S/C12H21NO/c1-5-6-7-8-9-10-11(2)12(14)13(3)4/h8-10H,5-7H2,1-4H3/b9-8+,11-10-
InChIKeyIJQKABOWOAMGGA-OCBXPSTGSA-N
MW195.31 g/mol
LogP2.77
Rot. Bonds5

About (2Z,4E)-N,N,2-trimethylnona-2,4-dienamide

(2Z,4E)-N,N,2-trimethylnona-2,4-dienamide (PubChem CID 121013749) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (2Z,4E)-N,N,2-trimethylnona-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4E)-N,N,2-trimethylnona-2,4-dienamide
PubChem CID121013749
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(2Z,4E)-N,N,2-trimethylnona-2,4-dienamide
SMILESCCCC/C=C/C=C(/C)C(=O)N(C)C
InChIInChI=1S/C12H21NO/c1-5-6-7-8-9-10-11(2)12(14)13(3)4/h8-10H,5-7H2,1-4H3/b9-8+,11-10-
InChIKeyIJQKABOWOAMGGA-OCBXPSTGSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 44561471
3-[bis(dimethylamino)methylidene]-N,N-dimethylcyclopenta-1,4-diene-1-carboxamide
CID 13280607
lithium N,N-diethylbenzamide
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N,N-dimethylcyclohexa-1,4-diene-1-carboxamide
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(E)-N,N,2,4-tetramethylpent-2-enamide
CID 14383808
(2Z)-N,N,2-trimethylpenta-2,4-dienamide
CID 24899374
(2e,4e)-N,N-dimethyldodeca-2,4-dienamide
CID 118028564
(2e,4e)-N,N-dimethyldeca-2,4-dienamide
CID 118028568
(3Z)-N,N-diethyl-3-fluoro-4-methylcycloocta-1,3,7-triene-1-carboxamide
CID 173763342
(2Z,3E)-2-ethylidene-3-fluoro-N,N,4-trimethylhexa-3,5-dienamide
CID 177348094
3-Ethyl-N,N-dimethylpent-2-enamide
CID 71421637

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N,N,2-trimethylnona-2,4-dienamide?
The IUPAC name of (2Z,4E)-N,N,2-trimethylnona-2,4-dienamide (CID 121013749) is (2Z,4E)-N,N,2-trimethylnona-2,4-dienamide.
What is the SMILES notation for (2Z,4E)-N,N,2-trimethylnona-2,4-dienamide?
The canonical SMILES for (2Z,4E)-N,N,2-trimethylnona-2,4-dienamide is CCCC/C=C/C=C(/C)C(=O)N(C)C.
What is the InChIKey of (2Z,4E)-N,N,2-trimethylnona-2,4-dienamide?
The InChIKey is IJQKABOWOAMGGA-OCBXPSTGSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-6-7-8-9-10-11(2)12(14)13(3)4/h8-10H,5-7H2,1-4H3/b9-8+,11-10-.
What are the key properties of (2Z,4E)-N,N,2-trimethylnona-2,4-dienamide?
(2Z,4E)-N,N,2-trimethylnona-2,4-dienamide has a molecular weight of 195.31 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N,N,2-trimethylnona-2,4-dienamide is sourced from PubChem (CID 121013749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).