2,4,7-trimethylocta-2,6-dienediamide

C11H18N2O2 — CID 54298057

IUPAC2,4,7-trimethylocta-2,6-dienediamide
SMILESCC(=CCC(C)C=C(C)C(N)=O)C(N)=O
InChIInChI=1S/C11H18N2O2/c1-7(6-9(3)11(13)15)4-5-8(2)10(12)14/h5-7H,4H2,1-3H3,(H2,12,14)(H2,13,15)
InChIKeySCEICQWBUFWUMP-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.88
Rot. Bonds5

About 2,4,7-trimethylocta-2,6-dienediamide

2,4,7-trimethylocta-2,6-dienediamide (PubChem CID 54298057) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2,4,7-trimethylocta-2,6-dienediamide.

Molecular Properties

Compound Name2,4,7-trimethylocta-2,6-dienediamide
PubChem CID54298057
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2,4,7-trimethylocta-2,6-dienediamide
SMILESCC(=CCC(C)C=C(C)C(N)=O)C(N)=O
InChIInChI=1S/C11H18N2O2/c1-7(6-9(3)11(13)15)4-5-8(2)10(12)14/h5-7H,4H2,1-3H3,(H2,12,14)(H2,13,15)
InChIKeySCEICQWBUFWUMP-UHFFFAOYSA-N
XLogP0.88
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,7-trimethylocta-2,6-dienediamide?
The IUPAC name of 2,4,7-trimethylocta-2,6-dienediamide (CID 54298057) is 2,4,7-trimethylocta-2,6-dienediamide.
What is the SMILES notation for 2,4,7-trimethylocta-2,6-dienediamide?
The canonical SMILES for 2,4,7-trimethylocta-2,6-dienediamide is CC(=CCC(C)C=C(C)C(N)=O)C(N)=O.
What is the InChIKey of 2,4,7-trimethylocta-2,6-dienediamide?
The InChIKey is SCEICQWBUFWUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-7(6-9(3)11(13)15)4-5-8(2)10(12)14/h5-7H,4H2,1-3H3,(H2,12,14)(H2,13,15).
What are the key properties of 2,4,7-trimethylocta-2,6-dienediamide?
2,4,7-trimethylocta-2,6-dienediamide has a molecular weight of 210.28 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7-trimethylocta-2,6-dienediamide is sourced from PubChem (CID 54298057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).