4-diazo-N-ethyl-2-methylcyclohex-2-en-1-imine

C9H13N3 — CID 57304768

IUPAC4-diazo-N-ethyl-2-methylcyclohex-2-en-1-imine
SMILESCC/N=C1\CCC(=[N+]=[N-])C=C1C
InChIInChI=1S/C9H13N3/c1-3-11-9-5-4-8(12-10)6-7(9)2/h6H,3-5H2,1-2H3/b11-9+
InChIKeyMFEDJDZLTKGVAI-PKNBQFBNSA-N
MW163.22 g/mol
LogP1.86
Rot. Bonds1

About 4-diazo-N-ethyl-2-methylcyclohex-2-en-1-imine

4-diazo-N-ethyl-2-methylcyclohex-2-en-1-imine (PubChem CID 57304768) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-diazo-N-ethyl-2-methylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name4-diazo-N-ethyl-2-methylcyclohex-2-en-1-imine
PubChem CID57304768
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name4-diazo-N-ethyl-2-methylcyclohex-2-en-1-imine
SMILESCC/N=C1\CCC(=[N+]=[N-])C=C1C
InChIInChI=1S/C9H13N3/c1-3-11-9-5-4-8(12-10)6-7(9)2/h6H,3-5H2,1-2H3/b11-9+
InChIKeyMFEDJDZLTKGVAI-PKNBQFBNSA-N
XLogP1.86
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-N,2-dimethylcyclohex-2-en-1-imine
CID 123676418
1-[(6R)-6-fluoro-5-methylidenecyclohexen-1-yl]-N-methylethanimine
CID 170395095
6-[(E)-but-2-en-2-yl]-2,3,4,5-tetrahydropyridine
CID 135038641
4,6-Didiazo-1-methylcyclohexene
CID 21752684
3-methyl-N-[2-[(3-methylcyclohex-2-en-1-ylidene)amino]propyl]cyclohex-2-en-1-imine
CID 67216503
5-Butyl-6-methyl-2,3-dihydropyridine
CID 89109547
9-methyl-3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine
CID 90703386
6-cyclohept-4-en-1-ylidene-N-methylcyclohex-3-en-1-imine
CID 90732822
N,3-dimethylcyclohex-2-en-1-imine
CID 90782444
5,6-Diethyl-2,3-dihydropyridine
CID 90830451
(E)-N,3-dimethyloct-2-en-4-imine
CID 91148159
N-ethyl-3-ethylidenehexan-2-imine
CID 91288958

Frequently Asked Questions

What is the IUPAC name of 4-diazo-N-ethyl-2-methylcyclohex-2-en-1-imine?
The IUPAC name of 4-diazo-N-ethyl-2-methylcyclohex-2-en-1-imine (CID 57304768) is 4-diazo-N-ethyl-2-methylcyclohex-2-en-1-imine.
What is the SMILES notation for 4-diazo-N-ethyl-2-methylcyclohex-2-en-1-imine?
The canonical SMILES for 4-diazo-N-ethyl-2-methylcyclohex-2-en-1-imine is CC/N=C1\CCC(=[N+]=[N-])C=C1C.
What is the InChIKey of 4-diazo-N-ethyl-2-methylcyclohex-2-en-1-imine?
The InChIKey is MFEDJDZLTKGVAI-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H13N3/c1-3-11-9-5-4-8(12-10)6-7(9)2/h6H,3-5H2,1-2H3/b11-9+.
What are the key properties of 4-diazo-N-ethyl-2-methylcyclohex-2-en-1-imine?
4-diazo-N-ethyl-2-methylcyclohex-2-en-1-imine has a molecular weight of 163.22 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazo-N-ethyl-2-methylcyclohex-2-en-1-imine is sourced from PubChem (CID 57304768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).