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

C14H19NO — CID 86675571

IUPAC(E)-N-(2-methylbutyl)non-2-en-6,8-diynamide
SMILESC#CC#CCC/C=C/C(=O)NCC(C)CC
InChIInChI=1S/C14H19NO/c1-4-6-7-8-9-10-11-14(16)15-12-13(3)5-2/h1,10-11,13H,5,8-9,12H2,2-3H3,(H,15,16)/b11-10+
InChIKeyQVOKGUVDLZCFMX-ZHACJKMWSA-N
MW217.31 g/mol
LogP2.12
Rot. Bonds6

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

(E)-N-(2-methylbutyl)non-2-en-6,8-diynamide (PubChem CID 86675571) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (E)-N-(2-methylbutyl)non-2-en-6,8-diynamide.

Molecular Properties

Compound Name(E)-N-(2-methylbutyl)non-2-en-6,8-diynamide
PubChem CID86675571
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(E)-N-(2-methylbutyl)non-2-en-6,8-diynamide
SMILESC#CC#CCC/C=C/C(=O)NCC(C)CC
InChIInChI=1S/C14H19NO/c1-4-6-7-8-9-10-11-14(16)15-12-13(3)5-2/h1,10-11,13H,5,8-9,12H2,2-3H3,(H,15,16)/b11-10+
InChIKeyQVOKGUVDLZCFMX-ZHACJKMWSA-N
XLogP2.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.12
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-methylbutyl)non-2-en-6,8-diynamide?
The IUPAC name of (E)-N-(2-methylbutyl)non-2-en-6,8-diynamide (CID 86675571) is (E)-N-(2-methylbutyl)non-2-en-6,8-diynamide.
What is the SMILES notation for (E)-N-(2-methylbutyl)non-2-en-6,8-diynamide?
The canonical SMILES for (E)-N-(2-methylbutyl)non-2-en-6,8-diynamide is C#CC#CCC/C=C/C(=O)NCC(C)CC.
What is the InChIKey of (E)-N-(2-methylbutyl)non-2-en-6,8-diynamide?
The InChIKey is QVOKGUVDLZCFMX-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-6-7-8-9-10-11-14(16)15-12-13(3)5-2/h1,10-11,13H,5,8-9,12H2,2-3H3,(H,15,16)/b11-10+.
What are the key properties of (E)-N-(2-methylbutyl)non-2-en-6,8-diynamide?
(E)-N-(2-methylbutyl)non-2-en-6,8-diynamide has a molecular weight of 217.31 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methylbutyl)non-2-en-6,8-diynamide is sourced from PubChem (CID 86675571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).