3-ethyl-2,2-dimethylhepta-3,5-dienamide

C11H19NO — CID 123768641

IUPAC3-ethyl-2,2-dimethylhepta-3,5-dienamide
SMILESCC=CC=C(CC)C(C)(C)C(N)=O
InChIInChI=1S/C11H19NO/c1-5-7-8-9(6-2)11(3,4)10(12)13/h5,7-8H,6H2,1-4H3,(H2,12,13)
InChIKeyDLSZCHRROJZYDV-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.41
Rot. Bonds4

About 3-ethyl-2,2-dimethylhepta-3,5-dienamide

3-ethyl-2,2-dimethylhepta-3,5-dienamide (PubChem CID 123768641) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-ethyl-2,2-dimethylhepta-3,5-dienamide.

Molecular Properties

Compound Name3-ethyl-2,2-dimethylhepta-3,5-dienamide
PubChem CID123768641
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-ethyl-2,2-dimethylhepta-3,5-dienamide
SMILESCC=CC=C(CC)C(C)(C)C(N)=O
InChIInChI=1S/C11H19NO/c1-5-7-8-9(6-2)11(3,4)10(12)13/h5,7-8H,6H2,1-4H3,(H2,12,13)
InChIKeyDLSZCHRROJZYDV-UHFFFAOYSA-N
XLogP2.41
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethylhexa-2,4-dienyl carbamate
CID 123678203
2-(15N)azanyl-2-methylbutanamide
CID 10844374
(4Z,6Z)-4-ethylocta-1,4,6-triene;methanamine
CID 142945126
ethyl 2-hydroxyhexa-2,4-dienoate
CID 88829669
(E)-3-ethyl-4,4-dimethylpent-2-ene
CID 5369078
2,2-dihydroxybutanamide
CID 22465138
(3E,5E)-3-ethoxycarbonylhepta-3,5-dienoic acid
CID 10703096
(2E,4Z)-hexa-2,4-diene-1,2-diamine
CID 89088938
(5E,7Z)-2-cyclobutylidene-5-ethylnona-5,7-dien-4-one
CID 89267675
(2E,4E)-5-ethyl-7-methylocta-2,4-diene
CID 173194163
(2E)-2-[(E)-but-2-enylidene]butanedioic acid
CID 87666227
(2Z,4E)-2-ethyl-N-methylhexa-2,4-dien-1-amine
CID 55298161

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,2-dimethylhepta-3,5-dienamide?
The IUPAC name of 3-ethyl-2,2-dimethylhepta-3,5-dienamide (CID 123768641) is 3-ethyl-2,2-dimethylhepta-3,5-dienamide.
What is the SMILES notation for 3-ethyl-2,2-dimethylhepta-3,5-dienamide?
The canonical SMILES for 3-ethyl-2,2-dimethylhepta-3,5-dienamide is CC=CC=C(CC)C(C)(C)C(N)=O.
What is the InChIKey of 3-ethyl-2,2-dimethylhepta-3,5-dienamide?
The InChIKey is DLSZCHRROJZYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-7-8-9(6-2)11(3,4)10(12)13/h5,7-8H,6H2,1-4H3,(H2,12,13).
What are the key properties of 3-ethyl-2,2-dimethylhepta-3,5-dienamide?
3-ethyl-2,2-dimethylhepta-3,5-dienamide has a molecular weight of 181.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,2-dimethylhepta-3,5-dienamide is sourced from PubChem (CID 123768641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).