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

C10H17NO — CID 13483540

IUPAC(4E)-N,N,4-trimethylhepta-4,6-dienamide
SMILESC/C(=C\C=C)/CCC(=O)N(C)C
InChIInChI=1S/C10H17NO/c1-5-6-9(2)7-8-10(12)11(3)4/h5-6H,1,7-8H2,2-4H3/b9-6+
InChIKeyCTGSMQKZZXJJIN-RMKNXTFCSA-N
MW167.25 g/mol
LogP2.00
Rot. Bonds4

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

(4E)-N,N,4-trimethylhepta-4,6-dienamide (PubChem CID 13483540) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (4E)-N,N,4-trimethylhepta-4,6-dienamide.

Molecular Properties

Compound Name(4E)-N,N,4-trimethylhepta-4,6-dienamide
PubChem CID13483540
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(4E)-N,N,4-trimethylhepta-4,6-dienamide
SMILESC/C(=C\C=C)/CCC(=O)N(C)C
InChIInChI=1S/C10H17NO/c1-5-6-9(2)7-8-10(12)11(3)4/h5-6H,1,7-8H2,2-4H3/b9-6+
InChIKeyCTGSMQKZZXJJIN-RMKNXTFCSA-N
XLogP2.00
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity192

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-N,N,4-trimethylhepta-4,6-dienamide?
The IUPAC name of (4E)-N,N,4-trimethylhepta-4,6-dienamide (CID 13483540) is (4E)-N,N,4-trimethylhepta-4,6-dienamide.
What is the SMILES notation for (4E)-N,N,4-trimethylhepta-4,6-dienamide?
The canonical SMILES for (4E)-N,N,4-trimethylhepta-4,6-dienamide is C/C(=C\C=C)/CCC(=O)N(C)C.
What is the InChIKey of (4E)-N,N,4-trimethylhepta-4,6-dienamide?
The InChIKey is CTGSMQKZZXJJIN-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-6-9(2)7-8-10(12)11(3)4/h5-6H,1,7-8H2,2-4H3/b9-6+.
What are the key properties of (4E)-N,N,4-trimethylhepta-4,6-dienamide?
(4E)-N,N,4-trimethylhepta-4,6-dienamide has a molecular weight of 167.25 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N,N,4-trimethylhepta-4,6-dienamide is sourced from PubChem (CID 13483540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).