(E)-N,N-diethyl-2-methylnon-2-enamide

C14H27NO — CID 102019648

IUPAC(E)-N,N-diethyl-2-methylnon-2-enamide
SMILESCCCCCC/C=C(\C)C(=O)N(CC)CC
InChIInChI=1S/C14H27NO/c1-5-8-9-10-11-12-13(4)14(16)15(6-2)7-3/h12H,5-11H2,1-4H3/b13-12+
InChIKeyLSINVGBZEUMHDS-OUKQBFOZSA-N
MW225.38 g/mol
LogP3.77
Rot. Bonds8

About (E)-N,N-diethyl-2-methylnon-2-enamide

(E)-N,N-diethyl-2-methylnon-2-enamide (PubChem CID 102019648) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (E)-N,N-diethyl-2-methylnon-2-enamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-2-methylnon-2-enamide
PubChem CID102019648
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(E)-N,N-diethyl-2-methylnon-2-enamide
SMILESCCCCCC/C=C(\C)C(=O)N(CC)CC
InChIInChI=1S/C14H27NO/c1-5-8-9-10-11-12-13(4)14(16)15(6-2)7-3/h12H,5-11H2,1-4H3/b13-12+
InChIKeyLSINVGBZEUMHDS-OUKQBFOZSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.77
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'}

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Related Compounds

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N-diethyl geranylamine
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(Z)-N,N-dibutyl-2-(trifluoromethyl)non-2-enamide
CID 10520811
1-methyl-1,2,5,6-tetrahydropyridine-3-(N,N-diethylcarboxamide)
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CID 173763342
1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrole-2,5-dione
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3-butyl-1-methyl-2H-pyrrol-5-one
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(E)-3-cyclohexyl-N,N-diethyl-2-methylprop-2-enamide
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5-Ethyl-3-methyl-1-propylpyridin-2-one
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CID 13331587

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-2-methylnon-2-enamide?
The IUPAC name of (E)-N,N-diethyl-2-methylnon-2-enamide (CID 102019648) is (E)-N,N-diethyl-2-methylnon-2-enamide.
What is the SMILES notation for (E)-N,N-diethyl-2-methylnon-2-enamide?
The canonical SMILES for (E)-N,N-diethyl-2-methylnon-2-enamide is CCCCCC/C=C(\C)C(=O)N(CC)CC.
What is the InChIKey of (E)-N,N-diethyl-2-methylnon-2-enamide?
The InChIKey is LSINVGBZEUMHDS-OUKQBFOZSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-8-9-10-11-12-13(4)14(16)15(6-2)7-3/h12H,5-11H2,1-4H3/b13-12+.
What are the key properties of (E)-N,N-diethyl-2-methylnon-2-enamide?
(E)-N,N-diethyl-2-methylnon-2-enamide has a molecular weight of 225.38 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-2-methylnon-2-enamide is sourced from PubChem (CID 102019648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).