cyclohexyl-(cyclohexyliminomethylidene)-morpholin-4-ylazanium

C17H30N3O+ — CID 19994458

IUPACcyclohexyl-(cyclohexyliminomethylidene)-morpholin-4-ylazanium
SMILESC(=NC1CCCCC1)=[N+](C1CCCCC1)N1CCOCC1
InChIInChI=1S/C17H30N3O/c1-3-7-16(8-4-1)18-15-20(17-9-5-2-6-10-17)19-11-13-21-14-12-19/h16-17H,1-14H2/q+1
InChIKeyWBAGINJSPKEPGB-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.09
Rot. Bonds3

About cyclohexyl-(cyclohexyliminomethylidene)-morpholin-4-ylazanium

cyclohexyl-(cyclohexyliminomethylidene)-morpholin-4-ylazanium (PubChem CID 19994458) has the molecular formula C17H30N3O+ and a molecular weight of 292.45 g/mol. Its IUPAC name is cyclohexyl-(cyclohexyliminomethylidene)-morpholin-4-ylazanium.

Molecular Properties

Compound Namecyclohexyl-(cyclohexyliminomethylidene)-morpholin-4-ylazanium
PubChem CID19994458
Molecular FormulaC17H30N3O+
Molecular Weight292.45 g/mol
Exact Mass292.24
IUPAC Namecyclohexyl-(cyclohexyliminomethylidene)-morpholin-4-ylazanium
SMILESC(=NC1CCCCC1)=[N+](C1CCCCC1)N1CCOCC1
InChIInChI=1S/C17H30N3O/c1-3-7-16(8-4-1)18-15-20(17-9-5-2-6-10-17)19-11-13-21-14-12-19/h16-17H,1-14H2/q+1
InChIKeyWBAGINJSPKEPGB-UHFFFAOYSA-N
XLogP3.09
TPSA27.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(cyclohexyliminomethylidene)-morpholin-4-ylazanium?
The IUPAC name of cyclohexyl-(cyclohexyliminomethylidene)-morpholin-4-ylazanium (CID 19994458) is cyclohexyl-(cyclohexyliminomethylidene)-morpholin-4-ylazanium.
What is the SMILES notation for cyclohexyl-(cyclohexyliminomethylidene)-morpholin-4-ylazanium?
The canonical SMILES for cyclohexyl-(cyclohexyliminomethylidene)-morpholin-4-ylazanium is C(=NC1CCCCC1)=[N+](C1CCCCC1)N1CCOCC1.
What is the InChIKey of cyclohexyl-(cyclohexyliminomethylidene)-morpholin-4-ylazanium?
The InChIKey is WBAGINJSPKEPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N3O/c1-3-7-16(8-4-1)18-15-20(17-9-5-2-6-10-17)19-11-13-21-14-12-19/h16-17H,1-14H2/q+1.
What are the key properties of cyclohexyl-(cyclohexyliminomethylidene)-morpholin-4-ylazanium?
cyclohexyl-(cyclohexyliminomethylidene)-morpholin-4-ylazanium has a molecular weight of 292.45 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(cyclohexyliminomethylidene)-morpholin-4-ylazanium is sourced from PubChem (CID 19994458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).