(E)-N-(2-methylpropyl)non-2-en-6,8-diynamide

C13H17NO — CID 101414630

IUPAC(E)-N-(2-methylpropyl)non-2-en-6,8-diynamide
SMILESC#CC#CCC/C=C/C(=O)NCC(C)C
InChIInChI=1S/C13H17NO/c1-4-5-6-7-8-9-10-13(15)14-11-12(2)3/h1,9-10,12H,7-8,11H2,2-3H3,(H,14,15)/b10-9+
InChIKeyRITIPEBSFZSULI-MDZDMXLPSA-N
MW203.28 g/mol
LogP1.73
Rot. Bonds5

About (E)-N-(2-methylpropyl)non-2-en-6,8-diynamide

(E)-N-(2-methylpropyl)non-2-en-6,8-diynamide (PubChem CID 101414630) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (E)-N-(2-methylpropyl)non-2-en-6,8-diynamide.

Molecular Properties

Compound Name(E)-N-(2-methylpropyl)non-2-en-6,8-diynamide
PubChem CID101414630
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(E)-N-(2-methylpropyl)non-2-en-6,8-diynamide
SMILESC#CC#CCC/C=C/C(=O)NCC(C)C
InChIInChI=1S/C13H17NO/c1-4-5-6-7-8-9-10-13(15)14-11-12(2)3/h1,9-10,12H,7-8,11H2,2-3H3,(H,14,15)/b10-9+
InChIKeyRITIPEBSFZSULI-MDZDMXLPSA-N
XLogP1.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.73
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methylpropyl)non-2-en-6,8-diynamide?
The IUPAC name of (E)-N-(2-methylpropyl)non-2-en-6,8-diynamide (CID 101414630) is (E)-N-(2-methylpropyl)non-2-en-6,8-diynamide.
What is the SMILES notation for (E)-N-(2-methylpropyl)non-2-en-6,8-diynamide?
The canonical SMILES for (E)-N-(2-methylpropyl)non-2-en-6,8-diynamide is C#CC#CCC/C=C/C(=O)NCC(C)C.
What is the InChIKey of (E)-N-(2-methylpropyl)non-2-en-6,8-diynamide?
The InChIKey is RITIPEBSFZSULI-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H17NO/c1-4-5-6-7-8-9-10-13(15)14-11-12(2)3/h1,9-10,12H,7-8,11H2,2-3H3,(H,14,15)/b10-9+.
What are the key properties of (E)-N-(2-methylpropyl)non-2-en-6,8-diynamide?
(E)-N-(2-methylpropyl)non-2-en-6,8-diynamide has a molecular weight of 203.28 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methylpropyl)non-2-en-6,8-diynamide is sourced from PubChem (CID 101414630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).