N'-(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanediimine

C9H12N2 — CID 141161897

IUPACN'-(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanediimine
SMILESCC1C=CC=CC1(C)N=C=N
InChIInChI=1S/C9H12N2/c1-8-5-3-4-6-9(8,2)11-7-10/h3-6,8,10H,1-2H3
InChIKeyIJPCYRVMVDOPSC-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.26
Rot. Bonds1

About N'-(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanediimine

N'-(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanediimine (PubChem CID 141161897) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is N'-(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanediimine.

Molecular Properties

Compound NameN'-(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanediimine
PubChem CID141161897
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC NameN'-(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanediimine
SMILESCC1C=CC=CC1(C)N=C=N
InChIInChI=1S/C9H12N2/c1-8-5-3-4-6-9(8,2)11-7-10/h3-6,8,10H,1-2H3
InChIKeyIJPCYRVMVDOPSC-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N'-(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanediimine?
The IUPAC name of N'-(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanediimine (CID 141161897) is N'-(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanediimine.
What is the SMILES notation for N'-(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanediimine?
The canonical SMILES for N'-(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanediimine is CC1C=CC=CC1(C)N=C=N.
What is the InChIKey of N'-(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanediimine?
The InChIKey is IJPCYRVMVDOPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-8-5-3-4-6-9(8,2)11-7-10/h3-6,8,10H,1-2H3.
What are the key properties of N'-(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanediimine?
N'-(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanediimine has a molecular weight of 148.21 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanediimine is sourced from PubChem (CID 141161897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).