(4E,6E)-3-aminotrideca-4,6-dienamide

C13H24N2O — CID 170875725

IUPAC(4E,6E)-3-aminotrideca-4,6-dienamide
SMILESCCCCCC/C=C/C=C/C(N)CC(N)=O
InChIInChI=1S/C13H24N2O/c1-2-3-4-5-6-7-8-9-10-12(14)11-13(15)16/h7-10,12H,2-6,11,14H2,1H3,(H2,15,16)/b8-7+,10-9+
InChIKeyXOFZFTUPQGXIND-XBLVEGMJSA-N
MW224.35 g/mol
LogP2.27
Rot. Bonds9

About (4E,6E)-3-aminotrideca-4,6-dienamide

(4E,6E)-3-aminotrideca-4,6-dienamide (PubChem CID 170875725) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (4E,6E)-3-aminotrideca-4,6-dienamide.

Molecular Properties

Compound Name(4E,6E)-3-aminotrideca-4,6-dienamide
PubChem CID170875725
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(4E,6E)-3-aminotrideca-4,6-dienamide
SMILESCCCCCC/C=C/C=C/C(N)CC(N)=O
InChIInChI=1S/C13H24N2O/c1-2-3-4-5-6-7-8-9-10-12(14)11-13(15)16/h7-10,12H,2-6,11,14H2,1H3,(H2,15,16)/b8-7+,10-9+
InChIKeyXOFZFTUPQGXIND-XBLVEGMJSA-N
XLogP2.27
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E,5Z)-dodeca-3,5-dien-2-amine
CID 14864066
dodeca-3,5-dien-2-amine
CID 72740287
2-pentadec-1-enylbutanediamide
CID 140575926
icosa-2,4-dienamide
CID 123364114
2-(2-methylpropyl)icosa-2,4-dienamide
CID 170984165
2-(2-methylpropyl)icosa-2,4,6-trienamide
CID 170984163
(22E)-heptatetraconta-22,24-diene
CID 56629131
henicosa-2,4,6,8,10-pentaene-1,1-diol
CID 141316228
(2E,4Z)-deca-2,4-dienamide
CID 87184515
(Z)-tetratriacont-9-enamide
CID 86624387
(E)-icos-11-enamide
CID 5365373
octadec-9-enamide
CID 75990485

Frequently Asked Questions

What is the IUPAC name of (4E,6E)-3-aminotrideca-4,6-dienamide?
The IUPAC name of (4E,6E)-3-aminotrideca-4,6-dienamide (CID 170875725) is (4E,6E)-3-aminotrideca-4,6-dienamide.
What is the SMILES notation for (4E,6E)-3-aminotrideca-4,6-dienamide?
The canonical SMILES for (4E,6E)-3-aminotrideca-4,6-dienamide is CCCCCC/C=C/C=C/C(N)CC(N)=O.
What is the InChIKey of (4E,6E)-3-aminotrideca-4,6-dienamide?
The InChIKey is XOFZFTUPQGXIND-XBLVEGMJSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-3-4-5-6-7-8-9-10-12(14)11-13(15)16/h7-10,12H,2-6,11,14H2,1H3,(H2,15,16)/b8-7+,10-9+.
What are the key properties of (4E,6E)-3-aminotrideca-4,6-dienamide?
(4E,6E)-3-aminotrideca-4,6-dienamide has a molecular weight of 224.35 g/mol, XLogP of 2.27, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-3-aminotrideca-4,6-dienamide is sourced from PubChem (CID 170875725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).