(2E,4E)-2-(2-methylpropyl)undeca-2,4-dien-8,10-diynamide

C15H19NO — CID 87891479

IUPAC(2E,4E)-2-(2-methylpropyl)undeca-2,4-dien-8,10-diynamide
SMILESC#CC#CCC/C=C/C=C(\CC(C)C)C(N)=O
InChIInChI=1S/C15H19NO/c1-4-5-6-7-8-9-10-11-14(15(16)17)12-13(2)3/h1,9-11,13H,7-8,12H2,2-3H3,(H2,16,17)/b10-9+,14-11+
InChIKeyNOMHYPUDESXWHB-QDCWQMMGSA-N
MW229.32 g/mol
LogP2.42
Rot. Bonds6

About (2E,4E)-2-(2-methylpropyl)undeca-2,4-dien-8,10-diynamide

(2E,4E)-2-(2-methylpropyl)undeca-2,4-dien-8,10-diynamide (PubChem CID 87891479) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (2E,4E)-2-(2-methylpropyl)undeca-2,4-dien-8,10-diynamide.

Molecular Properties

Compound Name(2E,4E)-2-(2-methylpropyl)undeca-2,4-dien-8,10-diynamide
PubChem CID87891479
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(2E,4E)-2-(2-methylpropyl)undeca-2,4-dien-8,10-diynamide
SMILESC#CC#CCC/C=C/C=C(\CC(C)C)C(N)=O
InChIInChI=1S/C15H19NO/c1-4-5-6-7-8-9-10-11-14(15(16)17)12-13(2)3/h1,9-11,13H,7-8,12H2,2-3H3,(H2,16,17)/b10-9+,14-11+
InChIKeyNOMHYPUDESXWHB-QDCWQMMGSA-N
XLogP2.42
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
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'}, {'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)-2-(2-methylpropyl)undeca-2,4-dien-8,10-diynamide?
The IUPAC name of (2E,4E)-2-(2-methylpropyl)undeca-2,4-dien-8,10-diynamide (CID 87891479) is (2E,4E)-2-(2-methylpropyl)undeca-2,4-dien-8,10-diynamide.
What is the SMILES notation for (2E,4E)-2-(2-methylpropyl)undeca-2,4-dien-8,10-diynamide?
The canonical SMILES for (2E,4E)-2-(2-methylpropyl)undeca-2,4-dien-8,10-diynamide is C#CC#CCC/C=C/C=C(\CC(C)C)C(N)=O.
What is the InChIKey of (2E,4E)-2-(2-methylpropyl)undeca-2,4-dien-8,10-diynamide?
The InChIKey is NOMHYPUDESXWHB-QDCWQMMGSA-N. The full InChI is InChI=1S/C15H19NO/c1-4-5-6-7-8-9-10-11-14(15(16)17)12-13(2)3/h1,9-11,13H,7-8,12H2,2-3H3,(H2,16,17)/b10-9+,14-11+.
What are the key properties of (2E,4E)-2-(2-methylpropyl)undeca-2,4-dien-8,10-diynamide?
(2E,4E)-2-(2-methylpropyl)undeca-2,4-dien-8,10-diynamide has a molecular weight of 229.32 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-(2-methylpropyl)undeca-2,4-dien-8,10-diynamide is sourced from PubChem (CID 87891479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).