cyclohexyl-[1-[cyclohexyl(methyl)amino]ethylidene]-methylazanium

C16H31N2+ — CID 23311431

IUPACcyclohexyl-[1-[cyclohexyl(methyl)amino]ethylidene]-methylazanium
SMILESC/C(N(C)C1CCCCC1)=[N+](/C)C1CCCCC1
InChIInChI=1S/C16H31N2/c1-14(17(2)15-10-6-4-7-11-15)18(3)16-12-8-5-9-13-16/h15-16H,4-13H2,1-3H3/q+1
InChIKeyOLBRPLYXAMOGBM-UHFFFAOYSA-N
MW251.44 g/mol
LogP3.64
Rot. Bonds2

About cyclohexyl-[1-[cyclohexyl(methyl)amino]ethylidene]-methylazanium

cyclohexyl-[1-[cyclohexyl(methyl)amino]ethylidene]-methylazanium (PubChem CID 23311431) has the molecular formula C16H31N2+ and a molecular weight of 251.44 g/mol. Its IUPAC name is cyclohexyl-[1-[cyclohexyl(methyl)amino]ethylidene]-methylazanium.

Molecular Properties

Compound Namecyclohexyl-[1-[cyclohexyl(methyl)amino]ethylidene]-methylazanium
PubChem CID23311431
Molecular FormulaC16H31N2+
Molecular Weight251.44 g/mol
Exact Mass251.25
IUPAC Namecyclohexyl-[1-[cyclohexyl(methyl)amino]ethylidene]-methylazanium
SMILESC/C(N(C)C1CCCCC1)=[N+](/C)C1CCCCC1
InChIInChI=1S/C16H31N2/c1-14(17(2)15-10-6-4-7-11-15)18(3)16-12-8-5-9-13-16/h15-16H,4-13H2,1-3H3/q+1
InChIKeyOLBRPLYXAMOGBM-UHFFFAOYSA-N
XLogP3.64
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze cyclohexyl-[1-[cyclohexyl(methyl)amino]ethylidene]-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[1-[cyclohexyl(methyl)amino]ethylidene]-methylazanium?
The IUPAC name of cyclohexyl-[1-[cyclohexyl(methyl)amino]ethylidene]-methylazanium (CID 23311431) is cyclohexyl-[1-[cyclohexyl(methyl)amino]ethylidene]-methylazanium.
What is the SMILES notation for cyclohexyl-[1-[cyclohexyl(methyl)amino]ethylidene]-methylazanium?
The canonical SMILES for cyclohexyl-[1-[cyclohexyl(methyl)amino]ethylidene]-methylazanium is C/C(N(C)C1CCCCC1)=[N+](/C)C1CCCCC1.
What is the InChIKey of cyclohexyl-[1-[cyclohexyl(methyl)amino]ethylidene]-methylazanium?
The InChIKey is OLBRPLYXAMOGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N2/c1-14(17(2)15-10-6-4-7-11-15)18(3)16-12-8-5-9-13-16/h15-16H,4-13H2,1-3H3/q+1.
What are the key properties of cyclohexyl-[1-[cyclohexyl(methyl)amino]ethylidene]-methylazanium?
cyclohexyl-[1-[cyclohexyl(methyl)amino]ethylidene]-methylazanium has a molecular weight of 251.44 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[1-[cyclohexyl(methyl)amino]ethylidene]-methylazanium is sourced from PubChem (CID 23311431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).