(6-imino-1-methylcyclohexa-2,4-dien-1-yl)azanium

C7H11N2+ — CID 142810852

IUPAC(6-imino-1-methylcyclohexa-2,4-dien-1-yl)azanium
SMILES[H]/N=C1\C=CC=CC1(C)[NH3+]
InChIInChI=1S/C7H10N2/c1-7(9)5-3-2-4-6(7)8/h2-5,8H,9H2,1H3/p+1/b8-6+
InChIKeyMIMRASLRPMSOGM-SOFGYWHQSA-O
MW123.18 g/mol
LogP0.13
Rot. Bonds

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

(6-imino-1-methylcyclohexa-2,4-dien-1-yl)azanium (PubChem CID 142810852) has the molecular formula C7H11N2+ and a molecular weight of 123.18 g/mol. Its IUPAC name is (6-imino-1-methylcyclohexa-2,4-dien-1-yl)azanium.

Molecular Properties

Compound Name(6-imino-1-methylcyclohexa-2,4-dien-1-yl)azanium
PubChem CID142810852
Molecular FormulaC7H11N2+
Molecular Weight123.18 g/mol
Exact Mass123.09
IUPAC Name(6-imino-1-methylcyclohexa-2,4-dien-1-yl)azanium
SMILES[H]/N=C1\C=CC=CC1(C)[NH3+]
InChIInChI=1S/C7H10N2/c1-7(9)5-3-2-4-6(7)8/h2-5,8H,9H2,1H3/p+1/b8-6+
InChIKeyMIMRASLRPMSOGM-SOFGYWHQSA-O
XLogP0.13
TPSA51.49 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
LogP ≤ 50.13
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

6-imino-1-sulfanylcyclohexa-2,4-diene-1-carboxylic acid
CID 91385088
4,4-dimethylcyclohepta-2,6-dien-1-imine
CID 91362255
(6R)-6-methyl-7-oxa-8-azabicyclo[4.2.0]octa-1(8),2,4-triene
CID 133063995
7-amino-7-methyl-1H-azepin-2-one
CID 90959063
4-imino-5,5-dimethyl-1-propan-2-ylimidazolidin-2-one
CID 138390712
3,3-dimethylcyclohepta-1,4,6-trien-1-amine
CID 130311423
8,8-dimethyl-2-propan-2-ylcyclohepta[d][1,3]oxazole
CID 142420189
(6Z)-6-[(ethylideneamino)methylidene]cyclohexa-2,4-dien-1-imine
CID 145330530
4,4,7,7-tetramethylcycloocta-2,5-dien-1-imine
CID 123219952
7-bromo-2,2-dimethylazepine
CID 143545839
5-imino-4,4-dimethylimidazolidin-2-one
CID 138058722
3-[(1E)-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-2-methylpropyl]-3-azatetracyclo[8.4.0.01,5.05,10]tetradecane-2,4-dione
CID 177145005

Frequently Asked Questions

What is the IUPAC name of (6-imino-1-methylcyclohexa-2,4-dien-1-yl)azanium?
The IUPAC name of (6-imino-1-methylcyclohexa-2,4-dien-1-yl)azanium (CID 142810852) is (6-imino-1-methylcyclohexa-2,4-dien-1-yl)azanium.
What is the SMILES notation for (6-imino-1-methylcyclohexa-2,4-dien-1-yl)azanium?
The canonical SMILES for (6-imino-1-methylcyclohexa-2,4-dien-1-yl)azanium is [H]/N=C1\C=CC=CC1(C)[NH3+].
What is the InChIKey of (6-imino-1-methylcyclohexa-2,4-dien-1-yl)azanium?
The InChIKey is MIMRASLRPMSOGM-SOFGYWHQSA-O. The full InChI is InChI=1S/C7H10N2/c1-7(9)5-3-2-4-6(7)8/h2-5,8H,9H2,1H3/p+1/b8-6+.
What are the key properties of (6-imino-1-methylcyclohexa-2,4-dien-1-yl)azanium?
(6-imino-1-methylcyclohexa-2,4-dien-1-yl)azanium has a molecular weight of 123.18 g/mol, XLogP of 0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-imino-1-methylcyclohexa-2,4-dien-1-yl)azanium is sourced from PubChem (CID 142810852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).