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

C8H12N2 — CID 89378274

IUPAC4-methylcyclohexa-1,3-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1=CC=C(C)CC1
InChIInChI=1S/C8H12N2/c1-6-2-4-7(5-3-6)8(9)10/h2,4H,3,5H2,1H3,(H3,9,10)
InChIKeyOJKHDJWEMYCRPN-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.59
Rot. Bonds1

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

4-methylcyclohexa-1,3-diene-1-carboximidamide (PubChem CID 89378274) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 4-methylcyclohexa-1,3-diene-1-carboximidamide.

Molecular Properties

Compound Name4-methylcyclohexa-1,3-diene-1-carboximidamide
PubChem CID89378274
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name4-methylcyclohexa-1,3-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1=CC=C(C)CC1
InChIInChI=1S/C8H12N2/c1-6-2-4-7(5-3-6)8(9)10/h2,4H,3,5H2,1H3,(H3,9,10)
InChIKeyOJKHDJWEMYCRPN-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
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

3-(Trifluoromethyl)cyclohexa-1,3-diene-1-carboximidamide
CID 123658529
[Amino(cyclohexa-1,3,4-trien-1-yl)methylidene]azanium
CID 132595472
4-Methylidenecyclohexa-1,5-diene-1-carboximidamide
CID 17905983
Cyclohexene-1-carboximidamide
CID 68077891
Cyclohexa-1,3-diene-1-carboximidamide
CID 91258250
5,5-Diaminocyclohexa-1,3-diene-1-carboximidamide
CID 117704220
5-Methylcyclohexa-1,3-diene-1-carboximidamide
CID 121291508
5-Ethylcyclopenta-1,3-diene-1-carboximidamide
CID 122461125
4-(Aminomethyl)-6-methylcyclohexa-1,3-diene-1-carboximidamide
CID 123670945
Cyclonona-1,3-diene-1-carboximidamide
CID 123709241
(2E,3Z)-2-ethylidene-3,5-dimethylhexa-3,5-dienimidamide
CID 123772432
(E)-2-propylpent-2-enimidamide
CID 123835678

Frequently Asked Questions

What is the IUPAC name of 4-methylcyclohexa-1,3-diene-1-carboximidamide?
The IUPAC name of 4-methylcyclohexa-1,3-diene-1-carboximidamide (CID 89378274) is 4-methylcyclohexa-1,3-diene-1-carboximidamide.
What is the SMILES notation for 4-methylcyclohexa-1,3-diene-1-carboximidamide?
The canonical SMILES for 4-methylcyclohexa-1,3-diene-1-carboximidamide is [H]/N=C(\N)C1=CC=C(C)CC1.
What is the InChIKey of 4-methylcyclohexa-1,3-diene-1-carboximidamide?
The InChIKey is OJKHDJWEMYCRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-6-2-4-7(5-3-6)8(9)10/h2,4H,3,5H2,1H3,(H3,9,10).
What are the key properties of 4-methylcyclohexa-1,3-diene-1-carboximidamide?
4-methylcyclohexa-1,3-diene-1-carboximidamide has a molecular weight of 136.20 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylcyclohexa-1,3-diene-1-carboximidamide is sourced from PubChem (CID 89378274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).