N-(2-aminoethyl)-N-methylhexa-2,4-dienamide

C9H16N2O — CID 76954139

IUPACN-(2-aminoethyl)-N-methylhexa-2,4-dienamide
SMILESCC=CC=CC(=O)N(C)CCN
InChIInChI=1S/C9H16N2O/c1-3-4-5-6-9(12)11(2)8-7-10/h3-6H,7-8,10H2,1-2H3
InChIKeyTXVIZYFBXWFIRW-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.54
Rot. Bonds4

About N-(2-aminoethyl)-N-methylhexa-2,4-dienamide

N-(2-aminoethyl)-N-methylhexa-2,4-dienamide (PubChem CID 76954139) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-methylhexa-2,4-dienamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-methylhexa-2,4-dienamide
PubChem CID76954139
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-(2-aminoethyl)-N-methylhexa-2,4-dienamide
SMILESCC=CC=CC(=O)N(C)CCN
InChIInChI=1S/C9H16N2O/c1-3-4-5-6-9(12)11(2)8-7-10/h3-6H,7-8,10H2,1-2H3
InChIKeyTXVIZYFBXWFIRW-UHFFFAOYSA-N
XLogP0.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.54
H-Bond Donors ≤ 51
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

N-(2-(Diethylamino)ethyl)-2-propenamide
CID 82750
1-(2-Aminoethyl)pyridin-2(1H)-one
CID 16791350
Nigragillin
CID 71454343
N-Ethyl-2E,4E-hexadienamide
CID 11434990
(2E,4E)-N-propylhexa-2,4-dienamide
CID 44443272
Ammonium, vinylenebis(carbonylimino)diethylenebis(trimethyl-, diiodide
CID 6434678
N-[2-(diethylamino)ethyl]acrylamide monohydrochloride
CID 3018509
5-Amino-1-(2-(dimethylamino)ethyl)-1,2-dihydropyridin-2-one
CID 20113138
1-(2,5-Dimethylpiperazin-1-yl)hexa-2,4-dien-1-one
CID 77052214
2,4-Hexadienamide, N,N-diethyl-
CID 5368935
Ethanaminium, N,N,N-trimethyl-2-[(1-oxo-2-propenyl)amino]-, chloride
CID 9855713
2-(Acryloylamino)-N,N,N-triethylethan-1-aminium chloride
CID 21902338

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-methylhexa-2,4-dienamide?
The IUPAC name of N-(2-aminoethyl)-N-methylhexa-2,4-dienamide (CID 76954139) is N-(2-aminoethyl)-N-methylhexa-2,4-dienamide.
What is the SMILES notation for N-(2-aminoethyl)-N-methylhexa-2,4-dienamide?
The canonical SMILES for N-(2-aminoethyl)-N-methylhexa-2,4-dienamide is CC=CC=CC(=O)N(C)CCN.
What is the InChIKey of N-(2-aminoethyl)-N-methylhexa-2,4-dienamide?
The InChIKey is TXVIZYFBXWFIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-4-5-6-9(12)11(2)8-7-10/h3-6H,7-8,10H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-methylhexa-2,4-dienamide?
N-(2-aminoethyl)-N-methylhexa-2,4-dienamide has a molecular weight of 168.24 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-methylhexa-2,4-dienamide is sourced from PubChem (CID 76954139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).