2,2,5-trimethylhexa-3,4-dienamide

C9H15NO — CID 13070339

IUPAC2,2,5-trimethylhexa-3,4-dienamide
SMILESCC(C)=C=CC(C)(C)C(N)=O
InChIInChI=1S/C9H15NO/c1-7(2)5-6-9(3,4)8(10)11/h6H,1-4H3,(H2,10,11)
InChIKeyXEIMWDOROGGSJP-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.62
Rot. Bonds2

About 2,2,5-trimethylhexa-3,4-dienamide

2,2,5-trimethylhexa-3,4-dienamide (PubChem CID 13070339) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2,2,5-trimethylhexa-3,4-dienamide.

Molecular Properties

Compound Name2,2,5-trimethylhexa-3,4-dienamide
PubChem CID13070339
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2,2,5-trimethylhexa-3,4-dienamide
SMILESCC(C)=C=CC(C)(C)C(N)=O
InChIInChI=1S/C9H15NO/c1-7(2)5-6-9(3,4)8(10)11/h6H,1-4H3,(H2,10,11)
InChIKeyXEIMWDOROGGSJP-UHFFFAOYSA-N
XLogP1.62
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2,5-trimethylhexa-3,4-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-3-methyliminopropanamide
CID 123908359
(3E)-5,5,8-trimethylnona-3,6,7-trien-2-one
CID 5363803
[(E)-2,2,5-trimethylhexa-3,4-dienylideneamino] acetate
CID 177383942
2,2-bis(sulfanyl)propanamide;hydrazine
CID 161266278
ethyl 2,2,5,6,6-pentamethylhepta-3,4-dienoate
CID 134988396
acetamide;formic acid
CID 19762194
acetyl chloride;2,2-dimethylpropanamide
CID 157270629
methanetetracarboxamide
CID 87547104
2,6-dimethyl-3-propan-2-ylhepta-4,5-dien-3-ol
CID 12555432
2-(but-3-en-2-ylamino)-2-methylpropanamide
CID 107906717
2-amino-2-methylpropanamide;dihydrochloride
CID 142633616
acetamide
CID 139024037

Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethylhexa-3,4-dienamide?
The IUPAC name of 2,2,5-trimethylhexa-3,4-dienamide (CID 13070339) is 2,2,5-trimethylhexa-3,4-dienamide.
What is the SMILES notation for 2,2,5-trimethylhexa-3,4-dienamide?
The canonical SMILES for 2,2,5-trimethylhexa-3,4-dienamide is CC(C)=C=CC(C)(C)C(N)=O.
What is the InChIKey of 2,2,5-trimethylhexa-3,4-dienamide?
The InChIKey is XEIMWDOROGGSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(2)5-6-9(3,4)8(10)11/h6H,1-4H3,(H2,10,11).
What are the key properties of 2,2,5-trimethylhexa-3,4-dienamide?
2,2,5-trimethylhexa-3,4-dienamide has a molecular weight of 153.22 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethylhexa-3,4-dienamide is sourced from PubChem (CID 13070339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).