(E)-N-(2-methylpropyl)dec-2-en-4,6,8-triynamide

C14H15NO — CID 101416082

IUPAC(E)-N-(2-methylpropyl)dec-2-en-4,6,8-triynamide
SMILESCC#CC#CC#C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C14H15NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h10-11,13H,12H2,1-3H3,(H,15,16)/b11-10+
InChIKeyCLOIUPDCVZLNQJ-ZHACJKMWSA-N
MW213.28 g/mol
LogP1.34
Rot. Bonds3

About (E)-N-(2-methylpropyl)dec-2-en-4,6,8-triynamide

(E)-N-(2-methylpropyl)dec-2-en-4,6,8-triynamide (PubChem CID 101416082) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is (E)-N-(2-methylpropyl)dec-2-en-4,6,8-triynamide.

Molecular Properties

Compound Name(E)-N-(2-methylpropyl)dec-2-en-4,6,8-triynamide
PubChem CID101416082
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name(E)-N-(2-methylpropyl)dec-2-en-4,6,8-triynamide
SMILESCC#CC#CC#C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C14H15NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h10-11,13H,12H2,1-3H3,(H,15,16)/b11-10+
InChIKeyCLOIUPDCVZLNQJ-ZHACJKMWSA-N
XLogP1.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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)dec-2-en-4,6,8-triynamide?
The IUPAC name of (E)-N-(2-methylpropyl)dec-2-en-4,6,8-triynamide (CID 101416082) is (E)-N-(2-methylpropyl)dec-2-en-4,6,8-triynamide.
What is the SMILES notation for (E)-N-(2-methylpropyl)dec-2-en-4,6,8-triynamide?
The canonical SMILES for (E)-N-(2-methylpropyl)dec-2-en-4,6,8-triynamide is CC#CC#CC#C/C=C/C(=O)NCC(C)C.
What is the InChIKey of (E)-N-(2-methylpropyl)dec-2-en-4,6,8-triynamide?
The InChIKey is CLOIUPDCVZLNQJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H15NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h10-11,13H,12H2,1-3H3,(H,15,16)/b11-10+.
What are the key properties of (E)-N-(2-methylpropyl)dec-2-en-4,6,8-triynamide?
(E)-N-(2-methylpropyl)dec-2-en-4,6,8-triynamide has a molecular weight of 213.28 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methylpropyl)dec-2-en-4,6,8-triynamide is sourced from PubChem (CID 101416082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).