(6-iminocyclohexa-2,4-dien-1-yl)azanium

C6H9N2+ — CID 142810966

IUPAC(6-iminocyclohexa-2,4-dien-1-yl)azanium
SMILES[H]/N=C1\C=CC=CC1[NH3+]
InChIInChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-5,8H,7H2/p+1/b8-6+
InChIKeyIHSVEYZEOCWXFH-SOFGYWHQSA-O
MW109.15 g/mol
LogP-0.26
Rot. Bonds

About (6-iminocyclohexa-2,4-dien-1-yl)azanium

(6-iminocyclohexa-2,4-dien-1-yl)azanium (PubChem CID 142810966) has the molecular formula C6H9N2+ and a molecular weight of 109.15 g/mol. Its IUPAC name is (6-iminocyclohexa-2,4-dien-1-yl)azanium.

Molecular Properties

Compound Name(6-iminocyclohexa-2,4-dien-1-yl)azanium
PubChem CID142810966
Molecular FormulaC6H9N2+
Molecular Weight109.15 g/mol
Exact Mass109.08
IUPAC Name(6-iminocyclohexa-2,4-dien-1-yl)azanium
SMILES[H]/N=C1\C=CC=CC1[NH3+]
InChIInChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-5,8H,7H2/p+1/b8-6+
InChIKeyIHSVEYZEOCWXFH-SOFGYWHQSA-O
XLogP-0.26
TPSA51.49 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.15
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-2,4-dien-1-yl)azanium?
The IUPAC name of (6-iminocyclohexa-2,4-dien-1-yl)azanium (CID 142810966) is (6-iminocyclohexa-2,4-dien-1-yl)azanium.
What is the SMILES notation for (6-iminocyclohexa-2,4-dien-1-yl)azanium?
The canonical SMILES for (6-iminocyclohexa-2,4-dien-1-yl)azanium is [H]/N=C1\C=CC=CC1[NH3+].
What is the InChIKey of (6-iminocyclohexa-2,4-dien-1-yl)azanium?
The InChIKey is IHSVEYZEOCWXFH-SOFGYWHQSA-O. The full InChI is InChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-5,8H,7H2/p+1/b8-6+.
What are the key properties of (6-iminocyclohexa-2,4-dien-1-yl)azanium?
(6-iminocyclohexa-2,4-dien-1-yl)azanium has a molecular weight of 109.15 g/mol, XLogP of -0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-iminocyclohexa-2,4-dien-1-yl)azanium is sourced from PubChem (CID 142810966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).