(2E,6E,8E)-N-(2-methylpropyl)deca-2,6,8-trienamide

C14H23NO — CID 11506817

IUPAC(2E,6E,8E)-N-(2-methylpropyl)deca-2,6,8-trienamide
SMILESC/C=C/C=C/CC/C=C/C(=O)NCC(C)C
InChIInChI=1S/C14H23NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,15,16)/b5-4+,7-6+,11-10+
InChIKeyBXOCHUWSGYYSFW-RXTMUMTRSA-N
MW221.34 g/mol
LogP3.23
Rot. Bonds7

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

(2E,6E,8E)-N-(2-methylpropyl)deca-2,6,8-trienamide (PubChem CID 11506817) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (2E,6E,8E)-N-(2-methylpropyl)deca-2,6,8-trienamide.

Molecular Properties

Compound Name(2E,6E,8E)-N-(2-methylpropyl)deca-2,6,8-trienamide
PubChem CID11506817
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(2E,6E,8E)-N-(2-methylpropyl)deca-2,6,8-trienamide
SMILESC/C=C/C=C/CC/C=C/C(=O)NCC(C)C
InChIInChI=1S/C14H23NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,15,16)/b5-4+,7-6+,11-10+
InChIKeyBXOCHUWSGYYSFW-RXTMUMTRSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.23
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,6E,8E)-N-(2-methylpropyl)deca-2,6,8-trienamide?
The IUPAC name of (2E,6E,8E)-N-(2-methylpropyl)deca-2,6,8-trienamide (CID 11506817) is (2E,6E,8E)-N-(2-methylpropyl)deca-2,6,8-trienamide.
What is the SMILES notation for (2E,6E,8E)-N-(2-methylpropyl)deca-2,6,8-trienamide?
The canonical SMILES for (2E,6E,8E)-N-(2-methylpropyl)deca-2,6,8-trienamide is C/C=C/C=C/CC/C=C/C(=O)NCC(C)C.
What is the InChIKey of (2E,6E,8E)-N-(2-methylpropyl)deca-2,6,8-trienamide?
The InChIKey is BXOCHUWSGYYSFW-RXTMUMTRSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,15,16)/b5-4+,7-6+,11-10+.
What are the key properties of (2E,6E,8E)-N-(2-methylpropyl)deca-2,6,8-trienamide?
(2E,6E,8E)-N-(2-methylpropyl)deca-2,6,8-trienamide has a molecular weight of 221.34 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,8E)-N-(2-methylpropyl)deca-2,6,8-trienamide is sourced from PubChem (CID 11506817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).