6-iminocyclohexa-1,3-dien-1-amine

C6H8N2 — CID 67326477

IUPAC6-iminocyclohexa-1,3-dien-1-amine
SMILES[H]/N=C1\CC=CC=C1N
InChIInChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-3,8H,4,7H2/b8-6+
InChIKeyTUYBCSKMAADDNI-SOFGYWHQSA-N
MW108.14 g/mol
LogP0.81
Rot. Bonds

About 6-iminocyclohexa-1,3-dien-1-amine

6-iminocyclohexa-1,3-dien-1-amine (PubChem CID 67326477) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 6-iminocyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name6-iminocyclohexa-1,3-dien-1-amine
PubChem CID67326477
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name6-iminocyclohexa-1,3-dien-1-amine
SMILES[H]/N=C1\CC=CC=C1N
InChIInChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-3,8H,4,7H2/b8-6+
InChIKeyTUYBCSKMAADDNI-SOFGYWHQSA-N
XLogP0.81
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.81
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-iminocyclohexa-1,3-dien-1-amine?
The IUPAC name of 6-iminocyclohexa-1,3-dien-1-amine (CID 67326477) is 6-iminocyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 6-iminocyclohexa-1,3-dien-1-amine?
The canonical SMILES for 6-iminocyclohexa-1,3-dien-1-amine is [H]/N=C1\CC=CC=C1N.
What is the InChIKey of 6-iminocyclohexa-1,3-dien-1-amine?
The InChIKey is TUYBCSKMAADDNI-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-3,8H,4,7H2/b8-6+.
What are the key properties of 6-iminocyclohexa-1,3-dien-1-amine?
6-iminocyclohexa-1,3-dien-1-amine has a molecular weight of 108.14 g/mol, XLogP of 0.81, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iminocyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 67326477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).