(2E)-N,N,4-trimethylhepta-2,6-dienamide

C10H17NO — CID 58422002

IUPAC(2E)-N,N,4-trimethylhepta-2,6-dienamide
SMILESC=CCC(C)/C=C/C(=O)N(C)C
InChIInChI=1S/C10H17NO/c1-5-6-9(2)7-8-10(12)11(3)4/h5,7-9H,1,6H2,2-4H3/b8-7+
InChIKeyGDOWZGWTTPSNGR-BQYQJAHWSA-N
MW167.25 g/mol
LogP1.84
Rot. Bonds4

About (2E)-N,N,4-trimethylhepta-2,6-dienamide

(2E)-N,N,4-trimethylhepta-2,6-dienamide (PubChem CID 58422002) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2E)-N,N,4-trimethylhepta-2,6-dienamide.

Molecular Properties

Compound Name(2E)-N,N,4-trimethylhepta-2,6-dienamide
PubChem CID58422002
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2E)-N,N,4-trimethylhepta-2,6-dienamide
SMILESC=CCC(C)/C=C/C(=O)N(C)C
InChIInChI=1S/C10H17NO/c1-5-6-9(2)7-8-10(12)11(3)4/h5,7-9H,1,6H2,2-4H3/b8-7+
InChIKeyGDOWZGWTTPSNGR-BQYQJAHWSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E)-N,N,4-trimethylhepta-2,6-dienamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-N,N,4-trimethylhepta-2,6-dienamide?
The IUPAC name of (2E)-N,N,4-trimethylhepta-2,6-dienamide (CID 58422002) is (2E)-N,N,4-trimethylhepta-2,6-dienamide.
What is the SMILES notation for (2E)-N,N,4-trimethylhepta-2,6-dienamide?
The canonical SMILES for (2E)-N,N,4-trimethylhepta-2,6-dienamide is C=CCC(C)/C=C/C(=O)N(C)C.
What is the InChIKey of (2E)-N,N,4-trimethylhepta-2,6-dienamide?
The InChIKey is GDOWZGWTTPSNGR-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-6-9(2)7-8-10(12)11(3)4/h5,7-9H,1,6H2,2-4H3/b8-7+.
What are the key properties of (2E)-N,N,4-trimethylhepta-2,6-dienamide?
(2E)-N,N,4-trimethylhepta-2,6-dienamide has a molecular weight of 167.25 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N,N,4-trimethylhepta-2,6-dienamide is sourced from PubChem (CID 58422002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).