(2E,6Z,8E)-N-(2-methylbutyl)deca-2,6,8-trienamide

C15H25NO — CID 5352999

IUPAC(2E,6Z,8E)-N-(2-methylbutyl)deca-2,6,8-trienamide
SMILESC/C=C/C=C\CC/C=C/C(=O)NCC(C)CC
InChIInChI=1S/C15H25NO/c1-4-6-7-8-9-10-11-12-15(17)16-13-14(3)5-2/h4,6-8,11-12,14H,5,9-10,13H2,1-3H3,(H,16,17)/b6-4+,8-7-,12-11+
InChIKeyLWJDBUUOYULAFU-KVSSZBNBSA-N
MW235.37 g/mol
LogP3.62
Rot. Bonds8

About (2E,6Z,8E)-N-(2-methylbutyl)deca-2,6,8-trienamide

(2E,6Z,8E)-N-(2-methylbutyl)deca-2,6,8-trienamide (PubChem CID 5352999) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (2E,6Z,8E)-N-(2-methylbutyl)deca-2,6,8-trienamide.

Molecular Properties

Compound Name(2E,6Z,8E)-N-(2-methylbutyl)deca-2,6,8-trienamide
PubChem CID5352999
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(2E,6Z,8E)-N-(2-methylbutyl)deca-2,6,8-trienamide
SMILESC/C=C/C=C\CC/C=C/C(=O)NCC(C)CC
InChIInChI=1S/C15H25NO/c1-4-6-7-8-9-10-11-12-15(17)16-13-14(3)5-2/h4,6-8,11-12,14H,5,9-10,13H2,1-3H3,(H,16,17)/b6-4+,8-7-,12-11+
InChIKeyLWJDBUUOYULAFU-KVSSZBNBSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.62
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'}

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Frequently Asked Questions

What is the IUPAC name of (2E,6Z,8E)-N-(2-methylbutyl)deca-2,6,8-trienamide?
The IUPAC name of (2E,6Z,8E)-N-(2-methylbutyl)deca-2,6,8-trienamide (CID 5352999) is (2E,6Z,8E)-N-(2-methylbutyl)deca-2,6,8-trienamide.
What is the SMILES notation for (2E,6Z,8E)-N-(2-methylbutyl)deca-2,6,8-trienamide?
The canonical SMILES for (2E,6Z,8E)-N-(2-methylbutyl)deca-2,6,8-trienamide is C/C=C/C=C\CC/C=C/C(=O)NCC(C)CC.
What is the InChIKey of (2E,6Z,8E)-N-(2-methylbutyl)deca-2,6,8-trienamide?
The InChIKey is LWJDBUUOYULAFU-KVSSZBNBSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-6-7-8-9-10-11-12-15(17)16-13-14(3)5-2/h4,6-8,11-12,14H,5,9-10,13H2,1-3H3,(H,16,17)/b6-4+,8-7-,12-11+.
What are the key properties of (2E,6Z,8E)-N-(2-methylbutyl)deca-2,6,8-trienamide?
(2E,6Z,8E)-N-(2-methylbutyl)deca-2,6,8-trienamide has a molecular weight of 235.37 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z,8E)-N-(2-methylbutyl)deca-2,6,8-trienamide is sourced from PubChem (CID 5352999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).