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

C10H17NO — CID 13483524

IUPAC(4E)-N,N,6-trimethylhepta-4,6-dienamide
SMILESC=C(C)/C=C/CCC(=O)N(C)C
InChIInChI=1S/C10H17NO/c1-9(2)7-5-6-8-10(12)11(3)4/h5,7H,1,6,8H2,2-4H3/b7-5+
InChIKeyPXDVXAFQDNVBMQ-FNORWQNLSA-N
MW167.25 g/mol
LogP1.99
Rot. Bonds4

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

(4E)-N,N,6-trimethylhepta-4,6-dienamide (PubChem CID 13483524) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (4E)-N,N,6-trimethylhepta-4,6-dienamide.

Molecular Properties

Compound Name(4E)-N,N,6-trimethylhepta-4,6-dienamide
PubChem CID13483524
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(4E)-N,N,6-trimethylhepta-4,6-dienamide
SMILESC=C(C)/C=C/CCC(=O)N(C)C
InChIInChI=1S/C10H17NO/c1-9(2)7-5-6-8-10(12)11(3)4/h5,7H,1,6,8H2,2-4H3/b7-5+
InChIKeyPXDVXAFQDNVBMQ-FNORWQNLSA-N
XLogP1.99
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 ≤ 51.99
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,6-trimethylhepta-4,6-dienamide?
The IUPAC name of (4E)-N,N,6-trimethylhepta-4,6-dienamide (CID 13483524) is (4E)-N,N,6-trimethylhepta-4,6-dienamide.
What is the SMILES notation for (4E)-N,N,6-trimethylhepta-4,6-dienamide?
The canonical SMILES for (4E)-N,N,6-trimethylhepta-4,6-dienamide is C=C(C)/C=C/CCC(=O)N(C)C.
What is the InChIKey of (4E)-N,N,6-trimethylhepta-4,6-dienamide?
The InChIKey is PXDVXAFQDNVBMQ-FNORWQNLSA-N. The full InChI is InChI=1S/C10H17NO/c1-9(2)7-5-6-8-10(12)11(3)4/h5,7H,1,6,8H2,2-4H3/b7-5+.
What are the key properties of (4E)-N,N,6-trimethylhepta-4,6-dienamide?
(4E)-N,N,6-trimethylhepta-4,6-dienamide has a molecular weight of 167.25 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N,N,6-trimethylhepta-4,6-dienamide is sourced from PubChem (CID 13483524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).