N-cyclohexyl-1-(1-methylpyridin-1-ium-3-yl)methanimine

C13H19N2+ — CID 23065116

IUPACN-cyclohexyl-1-(1-methylpyridin-1-ium-3-yl)methanimine
SMILESC[n+]1cccc(/C=N/C2CCCCC2)c1
InChIInChI=1S/C13H19N2/c1-15-9-5-6-12(11-15)10-14-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3/q+1/b14-10+
InChIKeyRGDFOXBOMWBNSF-GXDHUFHOSA-N
MW203.31 g/mol
LogP2.26
Rot. Bonds2

About N-cyclohexyl-1-(1-methylpyridin-1-ium-3-yl)methanimine

N-cyclohexyl-1-(1-methylpyridin-1-ium-3-yl)methanimine (PubChem CID 23065116) has the molecular formula C13H19N2+ and a molecular weight of 203.31 g/mol. Its IUPAC name is N-cyclohexyl-1-(1-methylpyridin-1-ium-3-yl)methanimine.

Molecular Properties

Compound NameN-cyclohexyl-1-(1-methylpyridin-1-ium-3-yl)methanimine
PubChem CID23065116
Molecular FormulaC13H19N2+
Molecular Weight203.31 g/mol
Exact Mass203.15
IUPAC NameN-cyclohexyl-1-(1-methylpyridin-1-ium-3-yl)methanimine
SMILESC[n+]1cccc(/C=N/C2CCCCC2)c1
InChIInChI=1S/C13H19N2/c1-15-9-5-6-12(11-15)10-14-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3/q+1/b14-10+
InChIKeyRGDFOXBOMWBNSF-GXDHUFHOSA-N
XLogP2.26
TPSA16.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-cyclohexyl-1-(1-methylpyridin-1-ium-3-yl)methanimine?
The IUPAC name of N-cyclohexyl-1-(1-methylpyridin-1-ium-3-yl)methanimine (CID 23065116) is N-cyclohexyl-1-(1-methylpyridin-1-ium-3-yl)methanimine.
What is the SMILES notation for N-cyclohexyl-1-(1-methylpyridin-1-ium-3-yl)methanimine?
The canonical SMILES for N-cyclohexyl-1-(1-methylpyridin-1-ium-3-yl)methanimine is C[n+]1cccc(/C=N/C2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-1-(1-methylpyridin-1-ium-3-yl)methanimine?
The InChIKey is RGDFOXBOMWBNSF-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H19N2/c1-15-9-5-6-12(11-15)10-14-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3/q+1/b14-10+.
What are the key properties of N-cyclohexyl-1-(1-methylpyridin-1-ium-3-yl)methanimine?
N-cyclohexyl-1-(1-methylpyridin-1-ium-3-yl)methanimine has a molecular weight of 203.31 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(1-methylpyridin-1-ium-3-yl)methanimine is sourced from PubChem (CID 23065116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).