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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Related Compounds

CID 123347365
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CID 140056943
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CID 140979928
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CID 141078913
CID 141078913
CID 141113662
CID 141113662
CID 151725957
CID 151725957
CID 151757078
CID 151757078
CID 152509222
CID 152509222
CID 174938150
CID 174938150
CID 175448335
CID 175448335
CID 176529298
CID 176529298
CID 177313194
CID 177313194

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).