3-ethyl-4-methylocta-4,6-dienimidamide

C11H20N2 — CID 90767630

IUPAC3-ethyl-4-methylocta-4,6-dienimidamide
SMILES[H]/N=C(\N)CC(CC)C(C)=CC=CC
InChIInChI=1S/C11H20N2/c1-4-6-7-9(3)10(5-2)8-11(12)13/h4,6-7,10H,5,8H2,1-3H3,(H3,12,13)
InChIKeyFPWUKPMQCWYXRE-UHFFFAOYSA-N
MW180.30 g/mol
LogP2.86
Rot. Bonds5

About 3-ethyl-4-methylocta-4,6-dienimidamide

3-ethyl-4-methylocta-4,6-dienimidamide (PubChem CID 90767630) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 3-ethyl-4-methylocta-4,6-dienimidamide.

Molecular Properties

Compound Name3-ethyl-4-methylocta-4,6-dienimidamide
PubChem CID90767630
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name3-ethyl-4-methylocta-4,6-dienimidamide
SMILES[H]/N=C(\N)CC(CC)C(C)=CC=CC
InChIInChI=1S/C11H20N2/c1-4-6-7-9(3)10(5-2)8-11(12)13/h4,6-7,10H,5,8H2,1-3H3,(H3,12,13)
InChIKeyFPWUKPMQCWYXRE-UHFFFAOYSA-N
XLogP2.86
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2,6-Difluoro-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide
CID 69107459
4-Ethenyl-2-fluoro-3-methylcyclohexa-2,4-diene-1-carboximidamide
CID 170147171
(2E)-2-[(2Z)-4-methylpenta-2,4-dienylidene]cyclohexane-1-carboximidamide
CID 89585167
(4Z,6Z)-3-methylidenecyclonona-4,6-diene-1-carboximidamide
CID 121451167
5-Ethylcyclopenta-1,3-diene-1-carboximidamide
CID 122461125
(Z)-4-methyl-3-prop-1-enylhept-2-enimidamide
CID 123583019
(3R)-4-(7-tert-butyl-3-bicyclo[4.1.0]hepta-1(7),2,4-trienyl)-3-methylbutanimidamide
CID 139408858
5-Methylcyclohexa-2,4-diene-1-carboximidamide
CID 141889173
(Z)-3-[(Z)-prop-1-enyl]hex-3-enimidamide
CID 141965014
4-Methylcyclohexa-2,4-diene-1-carboximidamide
CID 141972524
2-(3,3,4-Trimethylcyclohexa-1,5-dien-1-yl)propanimidamide
CID 142784985
3-Methylcyclohexa-2,4-diene-1-carboximidamide
CID 142943316

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methylocta-4,6-dienimidamide?
The IUPAC name of 3-ethyl-4-methylocta-4,6-dienimidamide (CID 90767630) is 3-ethyl-4-methylocta-4,6-dienimidamide.
What is the SMILES notation for 3-ethyl-4-methylocta-4,6-dienimidamide?
The canonical SMILES for 3-ethyl-4-methylocta-4,6-dienimidamide is [H]/N=C(\N)CC(CC)C(C)=CC=CC.
What is the InChIKey of 3-ethyl-4-methylocta-4,6-dienimidamide?
The InChIKey is FPWUKPMQCWYXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-6-7-9(3)10(5-2)8-11(12)13/h4,6-7,10H,5,8H2,1-3H3,(H3,12,13).
What are the key properties of 3-ethyl-4-methylocta-4,6-dienimidamide?
3-ethyl-4-methylocta-4,6-dienimidamide has a molecular weight of 180.30 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methylocta-4,6-dienimidamide is sourced from PubChem (CID 90767630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).