5,6-dimethylcyclohexa-2,4-diene-1-carboximidamide

C9H14N2 — CID 147988683

IUPAC5,6-dimethylcyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1C=CC=C(C)C1C
InChIInChI=1S/C9H14N2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5,7-8H,1-2H3,(H3,10,11)
InChIKeyIUPZKGPQRJCADA-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.69
Rot. Bonds1

About 5,6-dimethylcyclohexa-2,4-diene-1-carboximidamide

5,6-dimethylcyclohexa-2,4-diene-1-carboximidamide (PubChem CID 147988683) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 5,6-dimethylcyclohexa-2,4-diene-1-carboximidamide.

Molecular Properties

Compound Name5,6-dimethylcyclohexa-2,4-diene-1-carboximidamide
PubChem CID147988683
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name5,6-dimethylcyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1C=CC=C(C)C1C
InChIInChI=1S/C9H14N2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5,7-8H,1-2H3,(H3,10,11)
InChIKeyIUPZKGPQRJCADA-UHFFFAOYSA-N
XLogP1.69
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.69
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'}

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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
(1S)-cyclohex-3-ene-1-carboximidamide
CID 34179902
Cyclohex-3-ene-1-carboximidamide
CID 42614707
2-Cyclohexa-2,4-dien-1-yl-2-methylpropanimidamide
CID 88977513
(2E)-2-[(2Z)-4-methylpenta-2,4-dienylidene]cyclohexane-1-carboximidamide
CID 89585167
3-Ethyl-4-methylocta-4,6-dienimidamide
CID 90767630
5-Methylcyclohexa-1,3-diene-1-carboximidamide
CID 121291508
(4Z,6Z)-3-methylidenecyclonona-4,6-diene-1-carboximidamide
CID 121451167
2,6-Dimethyl-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide
CID 126601347
N-hydrazinylidene-4,5-dimethylcyclohexa-2,4-diene-1-carboximidamide
CID 129161143
(3R)-4-(7-tert-butyl-3-bicyclo[4.1.0]hepta-1(7),2,4-trienyl)-3-methylbutanimidamide
CID 139408858

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethylcyclohexa-2,4-diene-1-carboximidamide?
The IUPAC name of 5,6-dimethylcyclohexa-2,4-diene-1-carboximidamide (CID 147988683) is 5,6-dimethylcyclohexa-2,4-diene-1-carboximidamide.
What is the SMILES notation for 5,6-dimethylcyclohexa-2,4-diene-1-carboximidamide?
The canonical SMILES for 5,6-dimethylcyclohexa-2,4-diene-1-carboximidamide is [H]/N=C(\N)C1C=CC=C(C)C1C.
What is the InChIKey of 5,6-dimethylcyclohexa-2,4-diene-1-carboximidamide?
The InChIKey is IUPZKGPQRJCADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5,7-8H,1-2H3,(H3,10,11).
What are the key properties of 5,6-dimethylcyclohexa-2,4-diene-1-carboximidamide?
5,6-dimethylcyclohexa-2,4-diene-1-carboximidamide has a molecular weight of 150.22 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylcyclohexa-2,4-diene-1-carboximidamide is sourced from PubChem (CID 147988683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).