(2E,4E)-N-[2-(dimethylamino)ethyl]-N-methylhexa-2,4-dienamide

C11H20N2O — CID 110481075

IUPAC(2E,4E)-N-[2-(dimethylamino)ethyl]-N-methylhexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)N(C)CCN(C)C
InChIInChI=1S/C11H20N2O/c1-5-6-7-8-11(14)13(4)10-9-12(2)3/h5-8H,9-10H2,1-4H3/b6-5+,8-7+
InChIKeyYJBZJSYCHCMQNV-BSWSSELBSA-N
MW196.29 g/mol
LogP1.14
Rot. Bonds5

About (2E,4E)-N-[2-(dimethylamino)ethyl]-N-methylhexa-2,4-dienamide

(2E,4E)-N-[2-(dimethylamino)ethyl]-N-methylhexa-2,4-dienamide (PubChem CID 110481075) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (2E,4E)-N-[2-(dimethylamino)ethyl]-N-methylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[2-(dimethylamino)ethyl]-N-methylhexa-2,4-dienamide
PubChem CID110481075
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(2E,4E)-N-[2-(dimethylamino)ethyl]-N-methylhexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)N(C)CCN(C)C
InChIInChI=1S/C11H20N2O/c1-5-6-7-8-11(14)13(4)10-9-12(2)3/h5-8H,9-10H2,1-4H3/b6-5+,8-7+
InChIKeyYJBZJSYCHCMQNV-BSWSSELBSA-N
XLogP1.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

rel-(+)-(2E,4E)-1-((2R,5S)-2,4,5-Trimethyl-1-piperazinyl)-2,4-hexadien-1-one
CID 15939563
1-[2-(dimethylamino)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 10241184
(E)-N,N-diethylbut-2-enamide
CID 5354453
N,N,N',N'-tetraethyl fumaramide
CID 6151773
2-Butenamide, N,N-diisopropyl-, (E)-
CID 5366037
2,4-Hexadienamide, N,N-diethyl-
CID 5368935
2-Butenamide,n,n-diethyl-, (2e)-
CID 223376
(2E,4E)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexa-2,4-dien-1-one
CID 51074925
(2Z,4E)-2-fluoro-6-[2-fluoroprop-2-enoyl(prop-2-enyl)amino]-N-methyl-N-prop-2-enylhexa-2,4-dienamide
CID 155476806
(E)-4-(dimethylamino)-N-ethyl-N-fluorobut-2-enamide
CID 170066910
1-[(2e,4e)-2,4-Hexadienoyl]-2,4,5-trimethylpiperazine
CID 20846902
(2E)-N,N-diethyl-6-methylocta-2,4,5-trienamide
CID 92033390

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[2-(dimethylamino)ethyl]-N-methylhexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[2-(dimethylamino)ethyl]-N-methylhexa-2,4-dienamide (CID 110481075) is (2E,4E)-N-[2-(dimethylamino)ethyl]-N-methylhexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[2-(dimethylamino)ethyl]-N-methylhexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[2-(dimethylamino)ethyl]-N-methylhexa-2,4-dienamide is C/C=C/C=C/C(=O)N(C)CCN(C)C.
What is the InChIKey of (2E,4E)-N-[2-(dimethylamino)ethyl]-N-methylhexa-2,4-dienamide?
The InChIKey is YJBZJSYCHCMQNV-BSWSSELBSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-6-7-8-11(14)13(4)10-9-12(2)3/h5-8H,9-10H2,1-4H3/b6-5+,8-7+.
What are the key properties of (2E,4E)-N-[2-(dimethylamino)ethyl]-N-methylhexa-2,4-dienamide?
(2E,4E)-N-[2-(dimethylamino)ethyl]-N-methylhexa-2,4-dienamide has a molecular weight of 196.29 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[2-(dimethylamino)ethyl]-N-methylhexa-2,4-dienamide is sourced from PubChem (CID 110481075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).