N'-(1,5-dimethylcyclohexa-2,4-dien-1-yl)methanediimine

C9H12N2 — CID 175448335

IUPACN'-(1,5-dimethylcyclohexa-2,4-dien-1-yl)methanediimine
SMILESCC1=CC=CC(C)(N=C=N)C1
InChIInChI=1S/C9H12N2/c1-8-4-3-5-9(2,6-8)11-7-10/h3-5,10H,6H2,1-2H3
InChIKeyXCZGCBHVPVPULT-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.40
Rot. Bonds1

About N'-(1,5-dimethylcyclohexa-2,4-dien-1-yl)methanediimine

N'-(1,5-dimethylcyclohexa-2,4-dien-1-yl)methanediimine (PubChem CID 175448335) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is N'-(1,5-dimethylcyclohexa-2,4-dien-1-yl)methanediimine.

Molecular Properties

Compound NameN'-(1,5-dimethylcyclohexa-2,4-dien-1-yl)methanediimine
PubChem CID175448335
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC NameN'-(1,5-dimethylcyclohexa-2,4-dien-1-yl)methanediimine
SMILESCC1=CC=CC(C)(N=C=N)C1
InChIInChI=1S/C9H12N2/c1-8-4-3-5-9(2,6-8)11-7-10/h3-5,10H,6H2,1-2H3
InChIKeyXCZGCBHVPVPULT-UHFFFAOYSA-N
XLogP2.40
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1,6-Dimethylcyclohexa-2,4-dien-1-yl)guanidine
CID 140979928
2-(1,5-Dimethylcyclohexa-2,4-dien-1-yl)guanidine
CID 141078913
2-(1,4-Dimethylcyclohexa-2,4-dien-1-yl)guanidine
CID 141113662
N'-(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanediimine
CID 141161897
N'-[2-[3-(2,2-dimethylpropyl)cyclohexa-2,4-dien-1-yl]propan-2-yl]methanediimine
CID 141985658
2-(1,2-Dimethylcyclohexa-2,4-dien-1-yl)guanidine
CID 151725957
N'-[1,2-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]methanediimine
CID 151757078
2-(1-Methylcyclohexa-2,4-dien-1-yl)guanidine
CID 152509222
2-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]guanidine
CID 174938150
N'-[1,3-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]methanediimine
CID 178609047
2-(1-Methylcyclohex-3-en-1-yl)guanidine
CID 130825846

Frequently Asked Questions

What is the IUPAC name of N'-(1,5-dimethylcyclohexa-2,4-dien-1-yl)methanediimine?
The IUPAC name of N'-(1,5-dimethylcyclohexa-2,4-dien-1-yl)methanediimine (CID 175448335) is N'-(1,5-dimethylcyclohexa-2,4-dien-1-yl)methanediimine.
What is the SMILES notation for N'-(1,5-dimethylcyclohexa-2,4-dien-1-yl)methanediimine?
The canonical SMILES for N'-(1,5-dimethylcyclohexa-2,4-dien-1-yl)methanediimine is CC1=CC=CC(C)(N=C=N)C1.
What is the InChIKey of N'-(1,5-dimethylcyclohexa-2,4-dien-1-yl)methanediimine?
The InChIKey is XCZGCBHVPVPULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-8-4-3-5-9(2,6-8)11-7-10/h3-5,10H,6H2,1-2H3.
What are the key properties of N'-(1,5-dimethylcyclohexa-2,4-dien-1-yl)methanediimine?
N'-(1,5-dimethylcyclohexa-2,4-dien-1-yl)methanediimine has a molecular weight of 148.21 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,5-dimethylcyclohexa-2,4-dien-1-yl)methanediimine is sourced from PubChem (CID 175448335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).