(E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2-methylpropan-1-imine

C19H21NO2 — CID 10946355

IUPAC(E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2-methylpropan-1-imine
SMILESCC(C)/C=N/C1O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C19H21NO2/c1-14(2)13-20-19-21-17(15-9-5-3-6-10-15)18(22-19)16-11-7-4-8-12-16/h3-14,17-19H,1-2H3/b20-13+/t17-,18-/m1/s1
InChIKeyXYGUJTHVWLKODG-WLWPOCPESA-N
MW295.38 g/mol
LogP4.53
Rot. Bonds4

About (E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2-methylpropan-1-imine

(E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2-methylpropan-1-imine (PubChem CID 10946355) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2-methylpropan-1-imine.

Molecular Properties

Compound Name(E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2-methylpropan-1-imine
PubChem CID10946355
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2-methylpropan-1-imine
SMILESCC(C)/C=N/C1O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C19H21NO2/c1-14(2)13-20-19-21-17(15-9-5-3-6-10-15)18(22-19)16-11-7-4-8-12-16/h3-14,17-19H,1-2H3/b20-13+/t17-,18-/m1/s1
InChIKeyXYGUJTHVWLKODG-WLWPOCPESA-N
XLogP4.53
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2-methylpropan-1-imine with MolForge

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Related Compounds

Mveveebnmblbjg-pmacekpbsa-
CID 10860732
tert-butyl-[[(3S)-3-[2-(3-fluorophenyl)-1,3-dioxolan-2-yl]-3-phenylmethoxypropylidene]amino]-oxidosulfanium
CID 173794984
2-ethoxy-2,4-dimethoxy-5-phenyl-5H-1,3-oxazole
CID 12341433
2,2,4-trimethoxy-5-phenyl-5H-1,3-oxazole
CID 12341434
N-benzyl-1-[(4R,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methanimine
CID 14709900
(2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine
CID 134870991
(2R)-2-(2-methoxypropan-2-yloxy)-N-methyl-2-phenylethanimine
CID 134871033
1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-N-methylmethanimine oxide
CID 134924671
N-cyclohexyl-2,5-diphenyl-1,3-dioxolan-4-imine
CID 135003751
(2S)-2,3-bis(phenylmethoxy)-N-prop-2-enylpropan-1-imine
CID 155933101
2-Methoxy-4,5-diphenyl-1,3-dioxolane
CID 12328303
3-(1,5-diphenylpentoxy)-N-hexylpropan-1-imine
CID 57038793

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2-methylpropan-1-imine?
The IUPAC name of (E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2-methylpropan-1-imine (CID 10946355) is (E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2-methylpropan-1-imine.
What is the SMILES notation for (E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2-methylpropan-1-imine?
The canonical SMILES for (E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2-methylpropan-1-imine is CC(C)/C=N/C1O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1.
What is the InChIKey of (E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2-methylpropan-1-imine?
The InChIKey is XYGUJTHVWLKODG-WLWPOCPESA-N. The full InChI is InChI=1S/C19H21NO2/c1-14(2)13-20-19-21-17(15-9-5-3-6-10-15)18(22-19)16-11-7-4-8-12-16/h3-14,17-19H,1-2H3/b20-13+/t17-,18-/m1/s1.
What are the key properties of (E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2-methylpropan-1-imine?
(E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2-methylpropan-1-imine has a molecular weight of 295.38 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2-methylpropan-1-imine is sourced from PubChem (CID 10946355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).