1-diazoethylcyclohexane

C8H14N2 — CID 154252964

IUPAC1-diazoethylcyclohexane
SMILESCC(=[N+]=[N-])C1CCCCC1
InChIInChI=1S/C8H14N2/c1-7(10-9)8-5-3-2-4-6-8/h8H,2-6H2,1H3
InChIKeyICQKGYJISHEHNA-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.26
Rot. Bonds1

About 1-diazoethylcyclohexane

1-diazoethylcyclohexane (PubChem CID 154252964) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-diazoethylcyclohexane.

Molecular Properties

Compound Name1-diazoethylcyclohexane
PubChem CID154252964
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-diazoethylcyclohexane
SMILESCC(=[N+]=[N-])C1CCCCC1
InChIInChI=1S/C8H14N2/c1-7(10-9)8-5-3-2-4-6-8/h8H,2-6H2,1H3
InChIKeyICQKGYJISHEHNA-UHFFFAOYSA-N
XLogP2.26
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

4-Methylcyclohexanone hydrazone
CID 14684666
Cyclohexyl ketazine
CID 129811703
(Z)-1-cyclohexylethylidenehydrazine
CID 129321218
(E)-1-cyclohexylethylidenehydrazine
CID 133633329
[Cyclohexyl(diazo)methyl]cyclohexane
CID 18676731
1-Cyclohexylethanimine
CID 18727539
(3-Cyclohexyl-2-diazopropyl)cyclohexane
CID 20728935
3-methyl-N-(methylideneamino)cyclohexan-1-imine
CID 60073049
(3S)-3-methyl-N-(methylideneamino)cyclohexan-1-imine
CID 60073051
(3R)-3-methyl-N-(methylideneamino)cyclohexan-1-imine
CID 60073053
3,4,5,6-Tetramethyl-4,5-dihydropyridazine
CID 60132185
N-(cyclohexylideneamino)-2-methylcyclohexan-1-imine
CID 70615985

Frequently Asked Questions

What is the IUPAC name of 1-diazoethylcyclohexane?
The IUPAC name of 1-diazoethylcyclohexane (CID 154252964) is 1-diazoethylcyclohexane.
What is the SMILES notation for 1-diazoethylcyclohexane?
The canonical SMILES for 1-diazoethylcyclohexane is CC(=[N+]=[N-])C1CCCCC1.
What is the InChIKey of 1-diazoethylcyclohexane?
The InChIKey is ICQKGYJISHEHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(10-9)8-5-3-2-4-6-8/h8H,2-6H2,1H3.
What are the key properties of 1-diazoethylcyclohexane?
1-diazoethylcyclohexane has a molecular weight of 138.21 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazoethylcyclohexane is sourced from PubChem (CID 154252964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).