(2E,7Z,9E)-N-(2-methylpropyl)undeca-2,7,9-trienamide

C15H25NO — CID 10776149

IUPAC(2E,7Z,9E)-N-(2-methylpropyl)undeca-2,7,9-trienamide
SMILESC/C=C/C=C\CCC/C=C/C(=O)NCC(C)C
InChIInChI=1S/C15H25NO/c1-4-5-6-7-8-9-10-11-12-15(17)16-13-14(2)3/h4-7,11-12,14H,8-10,13H2,1-3H3,(H,16,17)/b5-4+,7-6-,12-11+
InChIKeyRRGACHGVTJJFEN-LFKFIDTLSA-N
MW235.37 g/mol
LogP3.62
Rot. Bonds8

About (2E,7Z,9E)-N-(2-methylpropyl)undeca-2,7,9-trienamide

(2E,7Z,9E)-N-(2-methylpropyl)undeca-2,7,9-trienamide (PubChem CID 10776149) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (2E,7Z,9E)-N-(2-methylpropyl)undeca-2,7,9-trienamide.

Molecular Properties

Compound Name(2E,7Z,9E)-N-(2-methylpropyl)undeca-2,7,9-trienamide
PubChem CID10776149
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(2E,7Z,9E)-N-(2-methylpropyl)undeca-2,7,9-trienamide
SMILESC/C=C/C=C\CCC/C=C/C(=O)NCC(C)C
InChIInChI=1S/C15H25NO/c1-4-5-6-7-8-9-10-11-12-15(17)16-13-14(2)3/h4-7,11-12,14H,8-10,13H2,1-3H3,(H,16,17)/b5-4+,7-6-,12-11+
InChIKeyRRGACHGVTJJFEN-LFKFIDTLSA-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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Related Compounds

(3E,8Z,10E)-N-(2-methylpropyl)dodeca-1,3,8,10-tetraen-2-amine
CID 89203985
(Z)-N-(2-methylpropyl)dec-2-enamide
CID 140519128
N-(2-methylpropyl)dodeca-2,8-dienamide
CID 78385027
(2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide
CID 134860994
(2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide
CID 10731388
N-(2-methylpropyl)trideca-2,4,12-trienamide
CID 87901236
(2E,4E)-10-hydroxy-N-(2-methylpropyl)deca-2,4-dienamide
CID 88665228
(2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide
CID 91697623
hepta-1,3,5-triyne;hexa-1,3,5-triyne;(2E,6Z,8E)-N-(2-methylpropyl)deca-2,6,8-trienamide;(3E,7Z,9E)-undeca-3,7,9-trien-2-one
CID 160629339
(2E,6E,8E)-N-propan-2-yldeca-2,6,8-trienamide
CID 87311173
(2E,4E,6Z,8Z)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide
CID 175711571
(2E)-N-(2-methylpropyl)tetradeca-2,4,6,8,10-pentaenamide
CID 149163052

Frequently Asked Questions

What is the IUPAC name of (2E,7Z,9E)-N-(2-methylpropyl)undeca-2,7,9-trienamide?
The IUPAC name of (2E,7Z,9E)-N-(2-methylpropyl)undeca-2,7,9-trienamide (CID 10776149) is (2E,7Z,9E)-N-(2-methylpropyl)undeca-2,7,9-trienamide.
What is the SMILES notation for (2E,7Z,9E)-N-(2-methylpropyl)undeca-2,7,9-trienamide?
The canonical SMILES for (2E,7Z,9E)-N-(2-methylpropyl)undeca-2,7,9-trienamide is C/C=C/C=C\CCC/C=C/C(=O)NCC(C)C.
What is the InChIKey of (2E,7Z,9E)-N-(2-methylpropyl)undeca-2,7,9-trienamide?
The InChIKey is RRGACHGVTJJFEN-LFKFIDTLSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-5-6-7-8-9-10-11-12-15(17)16-13-14(2)3/h4-7,11-12,14H,8-10,13H2,1-3H3,(H,16,17)/b5-4+,7-6-,12-11+.
What are the key properties of (2E,7Z,9E)-N-(2-methylpropyl)undeca-2,7,9-trienamide?
(2E,7Z,9E)-N-(2-methylpropyl)undeca-2,7,9-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,7Z,9E)-N-(2-methylpropyl)undeca-2,7,9-trienamide is sourced from PubChem (CID 10776149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).