N-cyclohexyl-4-diazo-2-methoxycyclohex-2-en-1-imine

C13H19N3O — CID 56609042

IUPACN-cyclohexyl-4-diazo-2-methoxycyclohex-2-en-1-imine
SMILESCOC1=CC(=[N+]=[N-])CC/C1=N\C1CCCCC1
InChIInChI=1S/C13H19N3O/c1-17-13-9-11(16-14)7-8-12(13)15-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3/b15-12+
InChIKeyWVCBSCMHEOIWKW-NTCAYCPXSA-N
MW233.31 g/mol
LogP2.76
Rot. Bonds2

About N-cyclohexyl-4-diazo-2-methoxycyclohex-2-en-1-imine

N-cyclohexyl-4-diazo-2-methoxycyclohex-2-en-1-imine (PubChem CID 56609042) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-cyclohexyl-4-diazo-2-methoxycyclohex-2-en-1-imine.

Molecular Properties

Compound NameN-cyclohexyl-4-diazo-2-methoxycyclohex-2-en-1-imine
PubChem CID56609042
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-cyclohexyl-4-diazo-2-methoxycyclohex-2-en-1-imine
SMILESCOC1=CC(=[N+]=[N-])CC/C1=N\C1CCCCC1
InChIInChI=1S/C13H19N3O/c1-17-13-9-11(16-14)7-8-12(13)15-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3/b15-12+
InChIKeyWVCBSCMHEOIWKW-NTCAYCPXSA-N
XLogP2.76
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-diazo-2-methoxycyclohex-2-en-1-imine?
The IUPAC name of N-cyclohexyl-4-diazo-2-methoxycyclohex-2-en-1-imine (CID 56609042) is N-cyclohexyl-4-diazo-2-methoxycyclohex-2-en-1-imine.
What is the SMILES notation for N-cyclohexyl-4-diazo-2-methoxycyclohex-2-en-1-imine?
The canonical SMILES for N-cyclohexyl-4-diazo-2-methoxycyclohex-2-en-1-imine is COC1=CC(=[N+]=[N-])CC/C1=N\C1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-diazo-2-methoxycyclohex-2-en-1-imine?
The InChIKey is WVCBSCMHEOIWKW-NTCAYCPXSA-N. The full InChI is InChI=1S/C13H19N3O/c1-17-13-9-11(16-14)7-8-12(13)15-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3/b15-12+.
What are the key properties of N-cyclohexyl-4-diazo-2-methoxycyclohex-2-en-1-imine?
N-cyclohexyl-4-diazo-2-methoxycyclohex-2-en-1-imine has a molecular weight of 233.31 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-diazo-2-methoxycyclohex-2-en-1-imine is sourced from PubChem (CID 56609042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).