6-methanimidoylcyclohexa-1,5-dien-1-amine

C7H10N2 — CID 142103720

IUPAC6-methanimidoylcyclohexa-1,5-dien-1-amine
SMILES[H]/N=C/C1=CCCC=C1N
InChIInChI=1S/C7H10N2/c8-5-6-3-1-2-4-7(6)9/h3-5,8H,1-2,9H2/b8-5+
InChIKeyMMHKDWPQPWWMBQ-VMPITWQZSA-N
MW122.17 g/mol
LogP1.20
Rot. Bonds1

About 6-methanimidoylcyclohexa-1,5-dien-1-amine

6-methanimidoylcyclohexa-1,5-dien-1-amine (PubChem CID 142103720) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 6-methanimidoylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name6-methanimidoylcyclohexa-1,5-dien-1-amine
PubChem CID142103720
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name6-methanimidoylcyclohexa-1,5-dien-1-amine
SMILES[H]/N=C/C1=CCCC=C1N
InChIInChI=1S/C7H10N2/c8-5-6-3-1-2-4-7(6)9/h3-5,8H,1-2,9H2/b8-5+
InChIKeyMMHKDWPQPWWMBQ-VMPITWQZSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methanimidoylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 6-methanimidoylcyclohexa-1,5-dien-1-amine (CID 142103720) is 6-methanimidoylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 6-methanimidoylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 6-methanimidoylcyclohexa-1,5-dien-1-amine is [H]/N=C/C1=CCCC=C1N.
What is the InChIKey of 6-methanimidoylcyclohexa-1,5-dien-1-amine?
The InChIKey is MMHKDWPQPWWMBQ-VMPITWQZSA-N. The full InChI is InChI=1S/C7H10N2/c8-5-6-3-1-2-4-7(6)9/h3-5,8H,1-2,9H2/b8-5+.
What are the key properties of 6-methanimidoylcyclohexa-1,5-dien-1-amine?
6-methanimidoylcyclohexa-1,5-dien-1-amine has a molecular weight of 122.17 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methanimidoylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 142103720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).