3-methylcyclohexa-2,4-diene-1-carboximidamide

C8H12N2 — CID 142943316

IUPAC3-methylcyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1C=C(C)C=CC1
InChIInChI=1S/C8H12N2/c1-6-3-2-4-7(5-6)8(9)10/h2-3,5,7H,4H2,1H3,(H3,9,10)
InChIKeyKHPKREZWNMIRJA-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.44
Rot. Bonds1

About 3-methylcyclohexa-2,4-diene-1-carboximidamide

3-methylcyclohexa-2,4-diene-1-carboximidamide (PubChem CID 142943316) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 3-methylcyclohexa-2,4-diene-1-carboximidamide.

Molecular Properties

Compound Name3-methylcyclohexa-2,4-diene-1-carboximidamide
PubChem CID142943316
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name3-methylcyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1C=C(C)C=CC1
InChIInChI=1S/C8H12N2/c1-6-3-2-4-7(5-6)8(9)10/h2-3,5,7H,4H2,1H3,(H3,9,10)
InChIKeyKHPKREZWNMIRJA-UHFFFAOYSA-N
XLogP1.44
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.44
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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Frequently Asked Questions

What is the IUPAC name of 3-methylcyclohexa-2,4-diene-1-carboximidamide?
The IUPAC name of 3-methylcyclohexa-2,4-diene-1-carboximidamide (CID 142943316) is 3-methylcyclohexa-2,4-diene-1-carboximidamide.
What is the SMILES notation for 3-methylcyclohexa-2,4-diene-1-carboximidamide?
The canonical SMILES for 3-methylcyclohexa-2,4-diene-1-carboximidamide is [H]/N=C(\N)C1C=C(C)C=CC1.
What is the InChIKey of 3-methylcyclohexa-2,4-diene-1-carboximidamide?
The InChIKey is KHPKREZWNMIRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-6-3-2-4-7(5-6)8(9)10/h2-3,5,7H,4H2,1H3,(H3,9,10).
What are the key properties of 3-methylcyclohexa-2,4-diene-1-carboximidamide?
3-methylcyclohexa-2,4-diene-1-carboximidamide has a molecular weight of 136.20 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcyclohexa-2,4-diene-1-carboximidamide is sourced from PubChem (CID 142943316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).