(2E,4E)-5-tert-butyl-N,N-dimethylhepta-2,4,6-trienamide

C13H21NO — CID 88859213

IUPAC(2E,4E)-5-tert-butyl-N,N-dimethylhepta-2,4,6-trienamide
SMILESC=C/C(=C\C=C\C(=O)N(C)C)C(C)(C)C
InChIInChI=1S/C13H21NO/c1-7-11(13(2,3)4)9-8-10-12(15)14(5)6/h7-10H,1H2,2-6H3/b10-8+,11-9+
InChIKeyKLVCHAFVOXUNHJ-GFULKKFKSA-N
MW207.32 g/mol
LogP2.79
Rot. Bonds3

About (2E,4E)-5-tert-butyl-N,N-dimethylhepta-2,4,6-trienamide

(2E,4E)-5-tert-butyl-N,N-dimethylhepta-2,4,6-trienamide (PubChem CID 88859213) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2E,4E)-5-tert-butyl-N,N-dimethylhepta-2,4,6-trienamide.

Molecular Properties

Compound Name(2E,4E)-5-tert-butyl-N,N-dimethylhepta-2,4,6-trienamide
PubChem CID88859213
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2E,4E)-5-tert-butyl-N,N-dimethylhepta-2,4,6-trienamide
SMILESC=C/C(=C\C=C\C(=O)N(C)C)C(C)(C)C
InChIInChI=1S/C13H21NO/c1-7-11(13(2,3)4)9-8-10-12(15)14(5)6/h7-10H,1H2,2-6H3/b10-8+,11-9+
InChIKeyKLVCHAFVOXUNHJ-GFULKKFKSA-N
XLogP2.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 143678790
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CID 91150058
N-[(1E,3E)-4-tert-butylhexa-1,3,5-trienyl]aniline
CID 118027593
N-(1,1-dihydroxyethyl)-N-methylprop-2-enamide
CID 87731814
N,N-dimethyl-7-oxohepta-2,4-dienamide
CID 137379587
N,N-dimethylprop-2-enamide;isocyanic acid
CID 172679295
N-[C,N-bis(ethenyl)carbonimidoyl]-N-[(1E)-2-tert-butylbuta-1,3-dienyl]prop-2-enamide
CID 155091776
(3E,5E)-1-hydroxy-6-[hydroxy(diphenyl)methyl]octa-3,5,7-trien-2-one
CID 142826257
(E)-N,N,6,6-tetramethylhept-2-enamide
CID 176757797
(2E)-2-ethenyl-N,N-dimethylpenta-2,4-dienamide
CID 142465051
(E)-4-(tert-butylamino)-N,N-dimethylbut-2-enamide
CID 134295928
(3E)-3-tert-butylhexa-1,3,5-triene;ethane;prop-1-ene;prop-1-yne
CID 143035857

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-tert-butyl-N,N-dimethylhepta-2,4,6-trienamide?
The IUPAC name of (2E,4E)-5-tert-butyl-N,N-dimethylhepta-2,4,6-trienamide (CID 88859213) is (2E,4E)-5-tert-butyl-N,N-dimethylhepta-2,4,6-trienamide.
What is the SMILES notation for (2E,4E)-5-tert-butyl-N,N-dimethylhepta-2,4,6-trienamide?
The canonical SMILES for (2E,4E)-5-tert-butyl-N,N-dimethylhepta-2,4,6-trienamide is C=C/C(=C\C=C\C(=O)N(C)C)C(C)(C)C.
What is the InChIKey of (2E,4E)-5-tert-butyl-N,N-dimethylhepta-2,4,6-trienamide?
The InChIKey is KLVCHAFVOXUNHJ-GFULKKFKSA-N. The full InChI is InChI=1S/C13H21NO/c1-7-11(13(2,3)4)9-8-10-12(15)14(5)6/h7-10H,1H2,2-6H3/b10-8+,11-9+.
What are the key properties of (2E,4E)-5-tert-butyl-N,N-dimethylhepta-2,4,6-trienamide?
(2E,4E)-5-tert-butyl-N,N-dimethylhepta-2,4,6-trienamide has a molecular weight of 207.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-tert-butyl-N,N-dimethylhepta-2,4,6-trienamide is sourced from PubChem (CID 88859213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).