(2E,4E)-N-(2-methylpropyl)undeca-2,4-dien-7,9-diynamide

C15H19NO — CID 636555

IUPAC(2E,4E)-N-(2-methylpropyl)undeca-2,4-dien-7,9-diynamide
SMILESCC#CC#CC/C=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C15H19NO/c1-4-5-6-7-8-9-10-11-12-15(17)16-13-14(2)3/h9-12,14H,8,13H2,1-3H3,(H,16,17)/b10-9+,12-11+
InChIKeyLFYBJVLJNNOYNG-HULFFUFUSA-N
MW229.32 g/mol
LogP2.29
Rot. Bonds5

About (2E,4E)-N-(2-methylpropyl)undeca-2,4-dien-7,9-diynamide

(2E,4E)-N-(2-methylpropyl)undeca-2,4-dien-7,9-diynamide (PubChem CID 636555) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (2E,4E)-N-(2-methylpropyl)undeca-2,4-dien-7,9-diynamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-methylpropyl)undeca-2,4-dien-7,9-diynamide
PubChem CID636555
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(2E,4E)-N-(2-methylpropyl)undeca-2,4-dien-7,9-diynamide
SMILESCC#CC#CC/C=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C15H19NO/c1-4-5-6-7-8-9-10-11-12-15(17)16-13-14(2)3/h9-12,14H,8,13H2,1-3H3,(H,16,17)/b10-9+,12-11+
InChIKeyLFYBJVLJNNOYNG-HULFFUFUSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(2-methylpropyl)undeca-2,4-dien-7,9-diynamide?
The IUPAC name of (2E,4E)-N-(2-methylpropyl)undeca-2,4-dien-7,9-diynamide (CID 636555) is (2E,4E)-N-(2-methylpropyl)undeca-2,4-dien-7,9-diynamide.
What is the SMILES notation for (2E,4E)-N-(2-methylpropyl)undeca-2,4-dien-7,9-diynamide?
The canonical SMILES for (2E,4E)-N-(2-methylpropyl)undeca-2,4-dien-7,9-diynamide is CC#CC#CC/C=C/C=C/C(=O)NCC(C)C.
What is the InChIKey of (2E,4E)-N-(2-methylpropyl)undeca-2,4-dien-7,9-diynamide?
The InChIKey is LFYBJVLJNNOYNG-HULFFUFUSA-N. The full InChI is InChI=1S/C15H19NO/c1-4-5-6-7-8-9-10-11-12-15(17)16-13-14(2)3/h9-12,14H,8,13H2,1-3H3,(H,16,17)/b10-9+,12-11+.
What are the key properties of (2E,4E)-N-(2-methylpropyl)undeca-2,4-dien-7,9-diynamide?
(2E,4E)-N-(2-methylpropyl)undeca-2,4-dien-7,9-diynamide has a molecular weight of 229.32 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-methylpropyl)undeca-2,4-dien-7,9-diynamide is sourced from PubChem (CID 636555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).