[6-imino-2-methyl-5-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]azanium

C14H19N2+ — CID 143079675

IUPAC[6-imino-2-methyl-5-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]azanium
SMILES[H]/N=C1/C(C2C=CC(C)=CC2)=CC=C(C)C1[NH3+]
InChIInChI=1S/C14H18N2/c1-9-3-6-11(7-4-9)12-8-5-10(2)13(15)14(12)16/h3-6,8,11,13,16H,7,15H2,1-2H3/p+1/b16-14-
InChIKeyHSEMUJDZDAYIEN-PEZBUJJGSA-O
MW215.32 g/mol
LogP2.03
Rot. Bonds1

About [6-imino-2-methyl-5-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]azanium

[6-imino-2-methyl-5-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]azanium (PubChem CID 143079675) has the molecular formula C14H19N2+ and a molecular weight of 215.32 g/mol. Its IUPAC name is [6-imino-2-methyl-5-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]azanium.

Molecular Properties

Compound Name[6-imino-2-methyl-5-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]azanium
PubChem CID143079675
Molecular FormulaC14H19N2+
Molecular Weight215.32 g/mol
Exact Mass215.15
IUPAC Name[6-imino-2-methyl-5-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]azanium
SMILES[H]/N=C1/C(C2C=CC(C)=CC2)=CC=C(C)C1[NH3+]
InChIInChI=1S/C14H18N2/c1-9-3-6-11(7-4-9)12-8-5-10(2)13(15)14(12)16/h3-6,8,11,13,16H,7,15H2,1-2H3/p+1/b16-14-
InChIKeyHSEMUJDZDAYIEN-PEZBUJJGSA-O
XLogP2.03
TPSA51.49 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 52.03
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-imino-2-methyl-5-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]azanium?
The IUPAC name of [6-imino-2-methyl-5-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]azanium (CID 143079675) is [6-imino-2-methyl-5-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]azanium.
What is the SMILES notation for [6-imino-2-methyl-5-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]azanium?
The canonical SMILES for [6-imino-2-methyl-5-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]azanium is [H]/N=C1/C(C2C=CC(C)=CC2)=CC=C(C)C1[NH3+].
What is the InChIKey of [6-imino-2-methyl-5-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]azanium?
The InChIKey is HSEMUJDZDAYIEN-PEZBUJJGSA-O. The full InChI is InChI=1S/C14H18N2/c1-9-3-6-11(7-4-9)12-8-5-10(2)13(15)14(12)16/h3-6,8,11,13,16H,7,15H2,1-2H3/p+1/b16-14-.
What are the key properties of [6-imino-2-methyl-5-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]azanium?
[6-imino-2-methyl-5-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]azanium has a molecular weight of 215.32 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-imino-2-methyl-5-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]azanium is sourced from PubChem (CID 143079675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).