(E)-1-phenyl-N-phenylmethoxy-1-(2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-yl)methanimine

C22H24N2O — CID 173019453

IUPAC(E)-1-phenyl-N-phenylmethoxy-1-(2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-yl)methanimine
SMILESC=CCN1CC2CC1(/C(=N/OCc1ccccc1)c1ccccc1)C2
InChIInChI=1S/C22H24N2O/c1-2-13-24-16-19-14-22(24,15-19)21(20-11-7-4-8-12-20)23-25-17-18-9-5-3-6-10-18/h2-12,19H,1,13-17H2/b23-21+
InChIKeyINYMKNRBKYLEKA-XTQSDGFTSA-N
MW332.45 g/mol
LogP4.26
Rot. Bonds7

About (E)-1-phenyl-N-phenylmethoxy-1-(2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-yl)methanimine

(E)-1-phenyl-N-phenylmethoxy-1-(2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-yl)methanimine (PubChem CID 173019453) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is (E)-1-phenyl-N-phenylmethoxy-1-(2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-yl)methanimine.

Molecular Properties

Compound Name(E)-1-phenyl-N-phenylmethoxy-1-(2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-yl)methanimine
PubChem CID173019453
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name(E)-1-phenyl-N-phenylmethoxy-1-(2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-yl)methanimine
SMILESC=CCN1CC2CC1(/C(=N/OCc1ccccc1)c1ccccc1)C2
InChIInChI=1S/C22H24N2O/c1-2-13-24-16-19-14-22(24,15-19)21(20-11-7-4-8-12-20)23-25-17-18-9-5-3-6-10-18/h2-12,19H,1,13-17H2/b23-21+
InChIKeyINYMKNRBKYLEKA-XTQSDGFTSA-N
XLogP4.26
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-amine
CID 66671474
1-(1-azabicyclo[2.2.2]octan-2-yl)-1-phenyl-N-phenylmethoxymethanimine
CID 123190449
(3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)-1-prop-2-enylazepane
CID 71658430
(3R,4S)-2,2-dimethyl-4-phenylmethoxy-1-prop-2-enylpyrrolidine-3-carbonitrile
CID 102175171
methyl (2Z)-2-(1-adamantyl)-2-phenylmethoxyiminoacetate
CID 15505129
(3R,4aS,7aS)-3-(phenylmethoxyamino)-6-prop-2-enyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-7-ol
CID 155072763
(4S,5R)-3,3-dimethyl-5-phenylmethoxy-1-prop-2-enylpiperidin-4-ol
CID 11558157
[(2R,3R,4S,5S)-3,4,5-tris(phenylmethoxy)-1-prop-2-enylpiperidin-2-yl]methanol
CID 11754618
(E)-1-cyclopropyl-N-phenylmethoxyethanimine
CID 163358834
1,5-diphenyl-1-N,3-N,5-N-tris(phenylmethoxy)pentane-1,3,5-triimine
CID 87328446
2-benzyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide
CID 86809326
benzyl 1-(hydroxymethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate
CID 11345626

Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyl-N-phenylmethoxy-1-(2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-yl)methanimine?
The IUPAC name of (E)-1-phenyl-N-phenylmethoxy-1-(2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-yl)methanimine (CID 173019453) is (E)-1-phenyl-N-phenylmethoxy-1-(2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-yl)methanimine.
What is the SMILES notation for (E)-1-phenyl-N-phenylmethoxy-1-(2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-yl)methanimine?
The canonical SMILES for (E)-1-phenyl-N-phenylmethoxy-1-(2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-yl)methanimine is C=CCN1CC2CC1(/C(=N/OCc1ccccc1)c1ccccc1)C2.
What is the InChIKey of (E)-1-phenyl-N-phenylmethoxy-1-(2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-yl)methanimine?
The InChIKey is INYMKNRBKYLEKA-XTQSDGFTSA-N. The full InChI is InChI=1S/C22H24N2O/c1-2-13-24-16-19-14-22(24,15-19)21(20-11-7-4-8-12-20)23-25-17-18-9-5-3-6-10-18/h2-12,19H,1,13-17H2/b23-21+.
What are the key properties of (E)-1-phenyl-N-phenylmethoxy-1-(2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-yl)methanimine?
(E)-1-phenyl-N-phenylmethoxy-1-(2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-yl)methanimine has a molecular weight of 332.45 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-N-phenylmethoxy-1-(2-prop-2-enyl-2-azabicyclo[2.1.1]hexan-1-yl)methanimine is sourced from PubChem (CID 173019453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).