2-methanimidoylcyclohexa-2,5-dien-1-amine

C7H10N2 — CID 91512249

IUPAC2-methanimidoylcyclohexa-2,5-dien-1-amine
SMILES[H]/N=C/C1=CCC=CC1N
InChIInChI=1S/C7H10N2/c8-5-6-3-1-2-4-7(6)9/h2-5,7-8H,1,9H2/b8-5+
InChIKeyJVNIORBXWUJJME-VMPITWQZSA-N
MW122.17 g/mol
LogP0.85
Rot. Bonds1

About 2-methanimidoylcyclohexa-2,5-dien-1-amine

2-methanimidoylcyclohexa-2,5-dien-1-amine (PubChem CID 91512249) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 2-methanimidoylcyclohexa-2,5-dien-1-amine.

Molecular Properties

Compound Name2-methanimidoylcyclohexa-2,5-dien-1-amine
PubChem CID91512249
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name2-methanimidoylcyclohexa-2,5-dien-1-amine
SMILES[H]/N=C/C1=CCC=CC1N
InChIInChI=1S/C7H10N2/c8-5-6-3-1-2-4-7(6)9/h2-5,7-8H,1,9H2/b8-5+
InChIKeyJVNIORBXWUJJME-VMPITWQZSA-N
XLogP0.85
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methanimidoylcyclohexa-2,5-dien-1-amine?
The IUPAC name of 2-methanimidoylcyclohexa-2,5-dien-1-amine (CID 91512249) is 2-methanimidoylcyclohexa-2,5-dien-1-amine.
What is the SMILES notation for 2-methanimidoylcyclohexa-2,5-dien-1-amine?
The canonical SMILES for 2-methanimidoylcyclohexa-2,5-dien-1-amine is [H]/N=C/C1=CCC=CC1N.
What is the InChIKey of 2-methanimidoylcyclohexa-2,5-dien-1-amine?
The InChIKey is JVNIORBXWUJJME-VMPITWQZSA-N. The full InChI is InChI=1S/C7H10N2/c8-5-6-3-1-2-4-7(6)9/h2-5,7-8H,1,9H2/b8-5+.
What are the key properties of 2-methanimidoylcyclohexa-2,5-dien-1-amine?
2-methanimidoylcyclohexa-2,5-dien-1-amine has a molecular weight of 122.17 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoylcyclohexa-2,5-dien-1-amine is sourced from PubChem (CID 91512249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).