2,6-dimethylhepta-2,5-dienediamide

C9H14N2O2 — CID 53429786

IUPAC2,6-dimethylhepta-2,5-dienediamide
SMILESCC(=CCC=C(C)C(N)=O)C(N)=O
InChIInChI=1S/C9H14N2O2/c1-6(8(10)12)4-3-5-7(2)9(11)13/h4-5H,3H2,1-2H3,(H2,10,12)(H2,11,13)
InChIKeyHXYORIGKNOKFTR-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.24
Rot. Bonds4

About 2,6-dimethylhepta-2,5-dienediamide

2,6-dimethylhepta-2,5-dienediamide (PubChem CID 53429786) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2,6-dimethylhepta-2,5-dienediamide.

Molecular Properties

Compound Name2,6-dimethylhepta-2,5-dienediamide
PubChem CID53429786
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2,6-dimethylhepta-2,5-dienediamide
SMILESCC(=CCC=C(C)C(N)=O)C(N)=O
InChIInChI=1S/C9H14N2O2/c1-6(8(10)12)4-3-5-7(2)9(11)13/h4-5H,3H2,1-2H3,(H2,10,12)(H2,11,13)
InChIKeyHXYORIGKNOKFTR-UHFFFAOYSA-N
XLogP0.24
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.24
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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Related Compounds

2-Butenediamide, 2-methyl-, (E)-
CID 643148
Citraconamide
CID 643944
2-Methyl-2-butenediamide
CID 239164
Ethylenedimethacrylamide
CID 53658247
Isopropylmethacrylamide
CID 54004204
Hexamethylenedimethacrylamide
CID 54047171
Propylmethacrylamide
CID 69117784
t-Butylmethacrylamide
CID 70145728
Aminoethylmethacrylamide
CID 91571744
Methacrylamide crotonamide
CID 129698378
alpha-Ethyl-beta-propylacrylic amide
CID 17903377
4-Fluoro-2-methylhexa-2,5-dienamide
CID 173182708

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylhepta-2,5-dienediamide?
The IUPAC name of 2,6-dimethylhepta-2,5-dienediamide (CID 53429786) is 2,6-dimethylhepta-2,5-dienediamide.
What is the SMILES notation for 2,6-dimethylhepta-2,5-dienediamide?
The canonical SMILES for 2,6-dimethylhepta-2,5-dienediamide is CC(=CCC=C(C)C(N)=O)C(N)=O.
What is the InChIKey of 2,6-dimethylhepta-2,5-dienediamide?
The InChIKey is HXYORIGKNOKFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(8(10)12)4-3-5-7(2)9(11)13/h4-5H,3H2,1-2H3,(H2,10,12)(H2,11,13).
What are the key properties of 2,6-dimethylhepta-2,5-dienediamide?
2,6-dimethylhepta-2,5-dienediamide has a molecular weight of 182.22 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylhepta-2,5-dienediamide is sourced from PubChem (CID 53429786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).