N-cyclohexyl-1-(1-hydroxy-2,2,5,5-tetramethyl-3-oxidoimidazol-3-ium-4-yl)methanimine

C14H25N3O2 — CID 23269854

IUPACN-cyclohexyl-1-(1-hydroxy-2,2,5,5-tetramethyl-3-oxidoimidazol-3-ium-4-yl)methanimine
SMILESCC1(C)C(/C=N/C2CCCCC2)=[N+]([O-])C(C)(C)N1O
InChIInChI=1S/C14H25N3O2/c1-13(2)12(16(18)14(3,4)17(13)19)10-15-11-8-6-5-7-9-11/h10-11,19H,5-9H2,1-4H3/b15-10+
InChIKeyMKBBSJRNHBIFSE-XNTDXEJSSA-N
MW267.37 g/mol
LogP2.56
Rot. Bonds2

About N-cyclohexyl-1-(1-hydroxy-2,2,5,5-tetramethyl-3-oxidoimidazol-3-ium-4-yl)methanimine

N-cyclohexyl-1-(1-hydroxy-2,2,5,5-tetramethyl-3-oxidoimidazol-3-ium-4-yl)methanimine (PubChem CID 23269854) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-cyclohexyl-1-(1-hydroxy-2,2,5,5-tetramethyl-3-oxidoimidazol-3-ium-4-yl)methanimine.

Molecular Properties

Compound NameN-cyclohexyl-1-(1-hydroxy-2,2,5,5-tetramethyl-3-oxidoimidazol-3-ium-4-yl)methanimine
PubChem CID23269854
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-cyclohexyl-1-(1-hydroxy-2,2,5,5-tetramethyl-3-oxidoimidazol-3-ium-4-yl)methanimine
SMILESCC1(C)C(/C=N/C2CCCCC2)=[N+]([O-])C(C)(C)N1O
InChIInChI=1S/C14H25N3O2/c1-13(2)12(16(18)14(3,4)17(13)19)10-15-11-8-6-5-7-9-11/h10-11,19H,5-9H2,1-4H3/b15-10+
InChIKeyMKBBSJRNHBIFSE-XNTDXEJSSA-N
XLogP2.56
TPSA61.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-hydroxy-2,2,5,5-tetramethyl-3-oxidoimidazol-3-ium-4-yl)methanimine?
The IUPAC name of N-cyclohexyl-1-(1-hydroxy-2,2,5,5-tetramethyl-3-oxidoimidazol-3-ium-4-yl)methanimine (CID 23269854) is N-cyclohexyl-1-(1-hydroxy-2,2,5,5-tetramethyl-3-oxidoimidazol-3-ium-4-yl)methanimine.
What is the SMILES notation for N-cyclohexyl-1-(1-hydroxy-2,2,5,5-tetramethyl-3-oxidoimidazol-3-ium-4-yl)methanimine?
The canonical SMILES for N-cyclohexyl-1-(1-hydroxy-2,2,5,5-tetramethyl-3-oxidoimidazol-3-ium-4-yl)methanimine is CC1(C)C(/C=N/C2CCCCC2)=[N+]([O-])C(C)(C)N1O.
What is the InChIKey of N-cyclohexyl-1-(1-hydroxy-2,2,5,5-tetramethyl-3-oxidoimidazol-3-ium-4-yl)methanimine?
The InChIKey is MKBBSJRNHBIFSE-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-13(2)12(16(18)14(3,4)17(13)19)10-15-11-8-6-5-7-9-11/h10-11,19H,5-9H2,1-4H3/b15-10+.
What are the key properties of N-cyclohexyl-1-(1-hydroxy-2,2,5,5-tetramethyl-3-oxidoimidazol-3-ium-4-yl)methanimine?
N-cyclohexyl-1-(1-hydroxy-2,2,5,5-tetramethyl-3-oxidoimidazol-3-ium-4-yl)methanimine has a molecular weight of 267.37 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(1-hydroxy-2,2,5,5-tetramethyl-3-oxidoimidazol-3-ium-4-yl)methanimine is sourced from PubChem (CID 23269854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).