1-(1-hydroxy-2,2,5,5-tetramethyl-3-oxidoimidazol-3-ium-4-yl)-N-propan-2-ylmethanimine

C11H21N3O2 — CID 23266492

IUPAC1-(1-hydroxy-2,2,5,5-tetramethyl-3-oxidoimidazol-3-ium-4-yl)-N-propan-2-ylmethanimine
SMILESCC(C)/N=C/C1=[N+]([O-])C(C)(C)N(O)C1(C)C
InChIInChI=1S/C11H21N3O2/c1-8(2)12-7-9-10(3,4)14(16)11(5,6)13(9)15/h7-8,16H,1-6H3/b12-7+
InChIKeyJWAXDTLNTGISLU-KPKJPENVSA-N
MW227.31 g/mol
LogP1.64
Rot. Bonds2

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

1-(1-hydroxy-2,2,5,5-tetramethyl-3-oxidoimidazol-3-ium-4-yl)-N-propan-2-ylmethanimine (PubChem CID 23266492) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(1-hydroxy-2,2,5,5-tetramethyl-3-oxidoimidazol-3-ium-4-yl)-N-propan-2-ylmethanimine.

Molecular Properties

Compound Name1-(1-hydroxy-2,2,5,5-tetramethyl-3-oxidoimidazol-3-ium-4-yl)-N-propan-2-ylmethanimine
PubChem CID23266492
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-(1-hydroxy-2,2,5,5-tetramethyl-3-oxidoimidazol-3-ium-4-yl)-N-propan-2-ylmethanimine
SMILESCC(C)/N=C/C1=[N+]([O-])C(C)(C)N(O)C1(C)C
InChIInChI=1S/C11H21N3O2/c1-8(2)12-7-9-10(3,4)14(16)11(5,6)13(9)15/h7-8,16H,1-6H3/b12-7+
InChIKeyJWAXDTLNTGISLU-KPKJPENVSA-N
XLogP1.64
TPSA61.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.64
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 1-(1-hydroxy-2,2,5,5-tetramethyl-3-oxidoimidazol-3-ium-4-yl)-N-propan-2-ylmethanimine?
The IUPAC name of 1-(1-hydroxy-2,2,5,5-tetramethyl-3-oxidoimidazol-3-ium-4-yl)-N-propan-2-ylmethanimine (CID 23266492) is 1-(1-hydroxy-2,2,5,5-tetramethyl-3-oxidoimidazol-3-ium-4-yl)-N-propan-2-ylmethanimine.
What is the SMILES notation for 1-(1-hydroxy-2,2,5,5-tetramethyl-3-oxidoimidazol-3-ium-4-yl)-N-propan-2-ylmethanimine?
The canonical SMILES for 1-(1-hydroxy-2,2,5,5-tetramethyl-3-oxidoimidazol-3-ium-4-yl)-N-propan-2-ylmethanimine is CC(C)/N=C/C1=[N+]([O-])C(C)(C)N(O)C1(C)C.
What is the InChIKey of 1-(1-hydroxy-2,2,5,5-tetramethyl-3-oxidoimidazol-3-ium-4-yl)-N-propan-2-ylmethanimine?
The InChIKey is JWAXDTLNTGISLU-KPKJPENVSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(2)12-7-9-10(3,4)14(16)11(5,6)13(9)15/h7-8,16H,1-6H3/b12-7+.
What are the key properties of 1-(1-hydroxy-2,2,5,5-tetramethyl-3-oxidoimidazol-3-ium-4-yl)-N-propan-2-ylmethanimine?
1-(1-hydroxy-2,2,5,5-tetramethyl-3-oxidoimidazol-3-ium-4-yl)-N-propan-2-ylmethanimine has a molecular weight of 227.31 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2,2,5,5-tetramethyl-3-oxidoimidazol-3-ium-4-yl)-N-propan-2-ylmethanimine is sourced from PubChem (CID 23266492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).