N-cyclohexyl-4-diazocyclohex-2-en-1-imine

C12H17N3 — CID 57075217

IUPACN-cyclohexyl-4-diazocyclohex-2-en-1-imine
SMILES[N-]=[N+]=C1C=C/C(=N/C2CCCCC2)CC1
InChIInChI=1S/C12H17N3/c13-15-12-8-6-11(7-9-12)14-10-4-2-1-3-5-10/h6,8,10H,1-5,7,9H2/b14-11-
InChIKeyUEMUOPJJNRUZDN-KAMYIIQDSA-N
MW203.29 g/mol
LogP2.78
Rot. Bonds1

About N-cyclohexyl-4-diazocyclohex-2-en-1-imine

N-cyclohexyl-4-diazocyclohex-2-en-1-imine (PubChem CID 57075217) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N-cyclohexyl-4-diazocyclohex-2-en-1-imine.

Molecular Properties

Compound NameN-cyclohexyl-4-diazocyclohex-2-en-1-imine
PubChem CID57075217
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN-cyclohexyl-4-diazocyclohex-2-en-1-imine
SMILES[N-]=[N+]=C1C=C/C(=N/C2CCCCC2)CC1
InChIInChI=1S/C12H17N3/c13-15-12-8-6-11(7-9-12)14-10-4-2-1-3-5-10/h6,8,10H,1-5,7,9H2/b14-11-
InChIKeyUEMUOPJJNRUZDN-KAMYIIQDSA-N
XLogP2.78
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.78
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

N-(Cyclohex-2-en-1-yl)cyclohexanimine
CID 13272647
4-diazo-N-nonan-2-ylcyclohex-2-en-1-imine
CID 56617196
1,2,3,4,4a,6,9,9a-Octahydrophenazine
CID 57006458
N-cyclohexylcyclohex-2-en-1-imine
CID 66728093
(4aS,8aR)-2-ethyl-3-[(Z)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydroquinoxaline
CID 126746716
1-N-cyclohexyl-4-N-propan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 140514520

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-diazocyclohex-2-en-1-imine?
The IUPAC name of N-cyclohexyl-4-diazocyclohex-2-en-1-imine (CID 57075217) is N-cyclohexyl-4-diazocyclohex-2-en-1-imine.
What is the SMILES notation for N-cyclohexyl-4-diazocyclohex-2-en-1-imine?
The canonical SMILES for N-cyclohexyl-4-diazocyclohex-2-en-1-imine is [N-]=[N+]=C1C=C/C(=N/C2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-diazocyclohex-2-en-1-imine?
The InChIKey is UEMUOPJJNRUZDN-KAMYIIQDSA-N. The full InChI is InChI=1S/C12H17N3/c13-15-12-8-6-11(7-9-12)14-10-4-2-1-3-5-10/h6,8,10H,1-5,7,9H2/b14-11-.
What are the key properties of N-cyclohexyl-4-diazocyclohex-2-en-1-imine?
N-cyclohexyl-4-diazocyclohex-2-en-1-imine has a molecular weight of 203.29 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-diazocyclohex-2-en-1-imine is sourced from PubChem (CID 57075217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).