N,N-dimethyldeca-2,4-dienamide

C12H21NO — CID 123964212

IUPACN,N-dimethyldeca-2,4-dienamide
SMILESCCCCCC=CC=CC(=O)N(C)C
InChIInChI=1S/C12H21NO/c1-4-5-6-7-8-9-10-11-12(14)13(2)3/h8-11H,4-7H2,1-3H3
InChIKeyAIIWRFGLHPEQEI-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.77
Rot. Bonds6

About N,N-dimethyldeca-2,4-dienamide

N,N-dimethyldeca-2,4-dienamide (PubChem CID 123964212) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N,N-dimethyldeca-2,4-dienamide.

Molecular Properties

Compound NameN,N-dimethyldeca-2,4-dienamide
PubChem CID123964212
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN,N-dimethyldeca-2,4-dienamide
SMILESCCCCCC=CC=CC(=O)N(C)C
InChIInChI=1S/C12H21NO/c1-4-5-6-7-8-9-10-11-12(14)13(2)3/h8-11H,4-7H2,1-3H3
InChIKeyAIIWRFGLHPEQEI-UHFFFAOYSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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

N,N-dimethylpentadec-2-enamide
CID 123899063
(3E,5E,7E)-trideca-3,5,7-trien-2-one
CID 118922947
(3E,5E,7E)-heptadeca-3,5,7-trien-2-one
CID 167627017
tricosa-3,5,7,9,11,13-hexaen-2-one
CID 123320913
pentadeca-3,5,7-trien-2-one
CID 91106763
(2E,4Z,6E,8E,10E)-docosa-2,4,6,8,10-pentaenoic acid
CID 122651989
(2E,4E,8E)-tetradeca-2,4,8-trienoic acid
CID 88513296
(2E,4E,6E,8E)-henicosa-2,4,6,8-tetraenoic acid
CID 71774758
heptadeca-2,4,6-trienoic acid
CID 54182900
docosa-2,4,6,8-tetraenoic acid
CID 158920983
(2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoic acid;(2E,4E,6E,8E,10E)-icosa-2,4,6,8,10-pentaenoic acid
CID 18424809
(2E,4E,6Z,8Z,10Z,12E)-docosa-2,4,6,8,10,12-hexaenoic acid
CID 175729583

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyldeca-2,4-dienamide?
The IUPAC name of N,N-dimethyldeca-2,4-dienamide (CID 123964212) is N,N-dimethyldeca-2,4-dienamide.
What is the SMILES notation for N,N-dimethyldeca-2,4-dienamide?
The canonical SMILES for N,N-dimethyldeca-2,4-dienamide is CCCCCC=CC=CC(=O)N(C)C.
What is the InChIKey of N,N-dimethyldeca-2,4-dienamide?
The InChIKey is AIIWRFGLHPEQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-5-6-7-8-9-10-11-12(14)13(2)3/h8-11H,4-7H2,1-3H3.
What are the key properties of N,N-dimethyldeca-2,4-dienamide?
N,N-dimethyldeca-2,4-dienamide has a molecular weight of 195.31 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyldeca-2,4-dienamide is sourced from PubChem (CID 123964212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).