ethane;(Z)-1-(1-methylpyridin-1-ium-2-yl)-1-phenyl-N-phenylmethoxymethanimine

C22H25N2O+ — CID 91489196

IUPACethane;(Z)-1-(1-methylpyridin-1-ium-2-yl)-1-phenyl-N-phenylmethoxymethanimine
SMILESCC.C[n+]1ccccc1/C(=N\OCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H19N2O.C2H6/c1-22-15-9-8-14-19(22)20(18-12-6-3-7-13-18)21-23-16-17-10-4-2-5-11-17;1-2/h2-15H,16H2,1H3;1-2H3/q+1;/b21-20-;
InChIKeySGSLVHKKUNEUQB-CFRCJOIHSA-N
MW333.46 g/mol
LogP4.51
Rot. Bonds5

About ethane;(Z)-1-(1-methylpyridin-1-ium-2-yl)-1-phenyl-N-phenylmethoxymethanimine

ethane;(Z)-1-(1-methylpyridin-1-ium-2-yl)-1-phenyl-N-phenylmethoxymethanimine (PubChem CID 91489196) has the molecular formula C22H25N2O+ and a molecular weight of 333.46 g/mol. Its IUPAC name is ethane;(Z)-1-(1-methylpyridin-1-ium-2-yl)-1-phenyl-N-phenylmethoxymethanimine.

Molecular Properties

Compound Nameethane;(Z)-1-(1-methylpyridin-1-ium-2-yl)-1-phenyl-N-phenylmethoxymethanimine
PubChem CID91489196
Molecular FormulaC22H25N2O+
Molecular Weight333.46 g/mol
Exact Mass333.20
IUPAC Nameethane;(Z)-1-(1-methylpyridin-1-ium-2-yl)-1-phenyl-N-phenylmethoxymethanimine
SMILESCC.C[n+]1ccccc1/C(=N\OCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H19N2O.C2H6/c1-22-15-9-8-14-19(22)20(18-12-6-3-7-13-18)21-23-16-17-10-4-2-5-11-17;1-2/h2-15H,16H2,1H3;1-2H3/q+1;/b21-20-;
InChIKeySGSLVHKKUNEUQB-CFRCJOIHSA-N
XLogP4.51
TPSA25.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-phenyl-N-phenylmethoxy-1-pyridin-2-ylmethanimine
CID 87293171
4-(bromomethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 23551915
1-phenyl-1-N,3-N-bis(phenylmethoxy)butane-1,3-diimine
CID 87328837
(E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine
CID 71724198
1,5-diphenyl-1-N,3-N,5-N-tris(phenylmethoxy)pentane-1,3,5-triimine
CID 87328446
(E)-3-methyl-N-phenylmethoxybutan-2-imine
CID 89386199
4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 57487781
4-(hydroxymethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 74062145
1-(4-ethoxyphenyl)-N-phenylmethoxyethanimine
CID 141463783
4-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]benzonitrile
CID 46566994
4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide;hydrochloride
CID 57487780
(4Z)-1,4-diphenyl-4-phenylmethoxyiminobutan-1-one
CID 88532291

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-1-(1-methylpyridin-1-ium-2-yl)-1-phenyl-N-phenylmethoxymethanimine?
The IUPAC name of ethane;(Z)-1-(1-methylpyridin-1-ium-2-yl)-1-phenyl-N-phenylmethoxymethanimine (CID 91489196) is ethane;(Z)-1-(1-methylpyridin-1-ium-2-yl)-1-phenyl-N-phenylmethoxymethanimine.
What is the SMILES notation for ethane;(Z)-1-(1-methylpyridin-1-ium-2-yl)-1-phenyl-N-phenylmethoxymethanimine?
The canonical SMILES for ethane;(Z)-1-(1-methylpyridin-1-ium-2-yl)-1-phenyl-N-phenylmethoxymethanimine is CC.C[n+]1ccccc1/C(=N\OCc1ccccc1)c1ccccc1.
What is the InChIKey of ethane;(Z)-1-(1-methylpyridin-1-ium-2-yl)-1-phenyl-N-phenylmethoxymethanimine?
The InChIKey is SGSLVHKKUNEUQB-CFRCJOIHSA-N. The full InChI is InChI=1S/C20H19N2O.C2H6/c1-22-15-9-8-14-19(22)20(18-12-6-3-7-13-18)21-23-16-17-10-4-2-5-11-17;1-2/h2-15H,16H2,1H3;1-2H3/q+1;/b21-20-;.
What are the key properties of ethane;(Z)-1-(1-methylpyridin-1-ium-2-yl)-1-phenyl-N-phenylmethoxymethanimine?
ethane;(Z)-1-(1-methylpyridin-1-ium-2-yl)-1-phenyl-N-phenylmethoxymethanimine has a molecular weight of 333.46 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-1-(1-methylpyridin-1-ium-2-yl)-1-phenyl-N-phenylmethoxymethanimine is sourced from PubChem (CID 91489196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).