(2E,4E)-5,9-dimethyl-N-propan-2-yldeca-2,4,8-trienamide

C15H25NO — CID 44561467

IUPAC(2E,4E)-5,9-dimethyl-N-propan-2-yldeca-2,4,8-trienamide
SMILESCC(C)=CCC/C(C)=C/C=C/C(=O)NC(C)C
InChIInChI=1S/C15H25NO/c1-12(2)8-6-9-14(5)10-7-11-15(17)16-13(3)4/h7-8,10-11,13H,6,9H2,1-5H3,(H,16,17)/b11-7+,14-10+
InChIKeyBWDANRBHXHCHJA-MYUCQOFCSA-N
MW235.37 g/mol
LogP3.76
Rot. Bonds6

About (2E,4E)-5,9-dimethyl-N-propan-2-yldeca-2,4,8-trienamide

(2E,4E)-5,9-dimethyl-N-propan-2-yldeca-2,4,8-trienamide (PubChem CID 44561467) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (2E,4E)-5,9-dimethyl-N-propan-2-yldeca-2,4,8-trienamide.

Molecular Properties

Compound Name(2E,4E)-5,9-dimethyl-N-propan-2-yldeca-2,4,8-trienamide
PubChem CID44561467
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(2E,4E)-5,9-dimethyl-N-propan-2-yldeca-2,4,8-trienamide
SMILESCC(C)=CCC/C(C)=C/C=C/C(=O)NC(C)C
InChIInChI=1S/C15H25NO/c1-12(2)8-6-9-14(5)10-7-11-15(17)16-13(3)4/h7-8,10-11,13H,6,9H2,1-5H3,(H,16,17)/b11-7+,14-10+
InChIKeyBWDANRBHXHCHJA-MYUCQOFCSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5,9-dimethyl-N-propan-2-yldeca-2,4,8-trienamide?
The IUPAC name of (2E,4E)-5,9-dimethyl-N-propan-2-yldeca-2,4,8-trienamide (CID 44561467) is (2E,4E)-5,9-dimethyl-N-propan-2-yldeca-2,4,8-trienamide.
What is the SMILES notation for (2E,4E)-5,9-dimethyl-N-propan-2-yldeca-2,4,8-trienamide?
The canonical SMILES for (2E,4E)-5,9-dimethyl-N-propan-2-yldeca-2,4,8-trienamide is CC(C)=CCC/C(C)=C/C=C/C(=O)NC(C)C.
What is the InChIKey of (2E,4E)-5,9-dimethyl-N-propan-2-yldeca-2,4,8-trienamide?
The InChIKey is BWDANRBHXHCHJA-MYUCQOFCSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(2)8-6-9-14(5)10-7-11-15(17)16-13(3)4/h7-8,10-11,13H,6,9H2,1-5H3,(H,16,17)/b11-7+,14-10+.
What are the key properties of (2E,4E)-5,9-dimethyl-N-propan-2-yldeca-2,4,8-trienamide?
(2E,4E)-5,9-dimethyl-N-propan-2-yldeca-2,4,8-trienamide has a molecular weight of 235.37 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5,9-dimethyl-N-propan-2-yldeca-2,4,8-trienamide is sourced from PubChem (CID 44561467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).