(4-iminocyclohexa-2,5-dien-1-yl)-dimethylazanium

C8H13N2+ — CID 59831277

IUPAC(4-iminocyclohexa-2,5-dien-1-yl)-dimethylazanium
SMILES[H]N=C1C=CC([NH+](C)C)C=C1
InChIInChI=1S/C8H12N2/c1-10(2)8-5-3-7(9)4-6-8/h3-6,8-9H,1-2H3/p+1/b9-7-
InChIKeySEIFAADDZRGMGO-CLFYSBASSA-O
MW137.21 g/mol
LogP-0.35
Rot. Bonds1

About (4-iminocyclohexa-2,5-dien-1-yl)-dimethylazanium

(4-iminocyclohexa-2,5-dien-1-yl)-dimethylazanium (PubChem CID 59831277) has the molecular formula C8H13N2+ and a molecular weight of 137.21 g/mol. Its IUPAC name is (4-iminocyclohexa-2,5-dien-1-yl)-dimethylazanium.

Molecular Properties

Compound Name(4-iminocyclohexa-2,5-dien-1-yl)-dimethylazanium
PubChem CID59831277
Molecular FormulaC8H13N2+
Molecular Weight137.21 g/mol
Exact Mass137.11
IUPAC Name(4-iminocyclohexa-2,5-dien-1-yl)-dimethylazanium
SMILES[H]N=C1C=CC([NH+](C)C)C=C1
InChIInChI=1S/C8H12N2/c1-10(2)8-5-3-7(9)4-6-8/h3-6,8-9H,1-2H3/p+1/b9-7-
InChIKeySEIFAADDZRGMGO-CLFYSBASSA-O
XLogP-0.35
TPSA28.29 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.21
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Iminocyclohexa-2,5-dien-1-amine
CID 140108
(Z)-6,6,6-trifluoro-5-imino-N-methylhex-3-en-2-amine
CID 135234790
4-diazo-N-(4-diazocyclohexa-2,5-dien-1-yl)cyclohexa-2,5-dien-1-amine
CID 14646212
2,6-dihydro-1H-pyridin-1-ium-3-imine
CID 57053248
[4-(Dimethylazaniumyl)cyclohexa-2,5-dien-1-yl]-dimethylazanium
CID 59076955
[4-(Dimethylamino)cyclohexa-2,5-dien-1-yl]-dimethylazanium
CID 59076957
4-imino-N,N-dimethylcyclohexa-2,5-dien-1-amine
CID 59831278
(4-Aminocyclohexa-2,5-dien-1-ylidene)-diethylazanium
CID 60040659
N-ethyl-4-ethyliminocyclohexa-2,5-dien-1-amine
CID 118199222
4-imino-N,N-dimethylcyclohepta-2,5-dien-1-amine
CID 123439029
(Z)-5-[(Z)-but-2-enyl]imino-N-methylpent-3-en-2-amine
CID 129043125
(E)-N-ethyl-5-iminohex-3-en-1-amine
CID 129045484

Frequently Asked Questions

What is the IUPAC name of (4-iminocyclohexa-2,5-dien-1-yl)-dimethylazanium?
The IUPAC name of (4-iminocyclohexa-2,5-dien-1-yl)-dimethylazanium (CID 59831277) is (4-iminocyclohexa-2,5-dien-1-yl)-dimethylazanium.
What is the SMILES notation for (4-iminocyclohexa-2,5-dien-1-yl)-dimethylazanium?
The canonical SMILES for (4-iminocyclohexa-2,5-dien-1-yl)-dimethylazanium is [H]N=C1C=CC([NH+](C)C)C=C1.
What is the InChIKey of (4-iminocyclohexa-2,5-dien-1-yl)-dimethylazanium?
The InChIKey is SEIFAADDZRGMGO-CLFYSBASSA-O. The full InChI is InChI=1S/C8H12N2/c1-10(2)8-5-3-7(9)4-6-8/h3-6,8-9H,1-2H3/p+1/b9-7-.
What are the key properties of (4-iminocyclohexa-2,5-dien-1-yl)-dimethylazanium?
(4-iminocyclohexa-2,5-dien-1-yl)-dimethylazanium has a molecular weight of 137.21 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iminocyclohexa-2,5-dien-1-yl)-dimethylazanium is sourced from PubChem (CID 59831277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).