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

C8H13N3 — CID 140991802

IUPAC4-amino-1-methylcyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1(C)C=CC(N)=CC1
InChIInChI=1S/C8H13N3/c1-8(7(10)11)4-2-6(9)3-5-8/h2-4H,5,9H2,1H3,(H3,10,11)
InChIKeyIRTZBGFFTRXHDO-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.73
Rot. Bonds1

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

4-amino-1-methylcyclohexa-2,4-diene-1-carboximidamide (PubChem CID 140991802) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-amino-1-methylcyclohexa-2,4-diene-1-carboximidamide.

Molecular Properties

Compound Name4-amino-1-methylcyclohexa-2,4-diene-1-carboximidamide
PubChem CID140991802
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name4-amino-1-methylcyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1(C)C=CC(N)=CC1
InChIInChI=1S/C8H13N3/c1-8(7(10)11)4-2-6(9)3-5-8/h2-4H,5,9H2,1H3,(H3,10,11)
InChIKeyIRTZBGFFTRXHDO-UHFFFAOYSA-N
XLogP0.73
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-amino-1-methylcyclohexa-2,4-diene-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methylcyclohexa-2,4-diene-1-carboximidamide?
The IUPAC name of 4-amino-1-methylcyclohexa-2,4-diene-1-carboximidamide (CID 140991802) is 4-amino-1-methylcyclohexa-2,4-diene-1-carboximidamide.
What is the SMILES notation for 4-amino-1-methylcyclohexa-2,4-diene-1-carboximidamide?
The canonical SMILES for 4-amino-1-methylcyclohexa-2,4-diene-1-carboximidamide is [H]/N=C(\N)C1(C)C=CC(N)=CC1.
What is the InChIKey of 4-amino-1-methylcyclohexa-2,4-diene-1-carboximidamide?
The InChIKey is IRTZBGFFTRXHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-8(7(10)11)4-2-6(9)3-5-8/h2-4H,5,9H2,1H3,(H3,10,11).
What are the key properties of 4-amino-1-methylcyclohexa-2,4-diene-1-carboximidamide?
4-amino-1-methylcyclohexa-2,4-diene-1-carboximidamide has a molecular weight of 151.21 g/mol, XLogP of 0.73, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methylcyclohexa-2,4-diene-1-carboximidamide is sourced from PubChem (CID 140991802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).