(E)-N-(2-phenylaziridin-1-yl)-1-[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methanimine

C20H22N2O2 — CID 177386915

IUPAC(E)-N-(2-phenylaziridin-1-yl)-1-[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methanimine
SMILESC(=N/N1CC1c1ccccc1)\C1(CCc2ccccc2)OCCO1
InChIInChI=1S/C20H22N2O2/c1-3-7-17(8-4-1)11-12-20(23-13-14-24-20)16-21-22-15-19(22)18-9-5-2-6-10-18/h1-10,16,19H,11-15H2/b21-16+
InChIKeyMDDMFGQZYYVSQD-LTGZKZEYSA-N
MW322.41 g/mol
LogP3.40
Rot. Bonds6

About (E)-N-(2-phenylaziridin-1-yl)-1-[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methanimine

(E)-N-(2-phenylaziridin-1-yl)-1-[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methanimine (PubChem CID 177386915) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (E)-N-(2-phenylaziridin-1-yl)-1-[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methanimine.

Molecular Properties

Compound Name(E)-N-(2-phenylaziridin-1-yl)-1-[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methanimine
PubChem CID177386915
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(E)-N-(2-phenylaziridin-1-yl)-1-[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methanimine
SMILESC(=N/N1CC1c1ccccc1)\C1(CCc2ccccc2)OCCO1
InChIInChI=1S/C20H22N2O2/c1-3-7-17(8-4-1)11-12-20(23-13-14-24-20)16-21-22-15-19(22)18-9-5-2-6-10-18/h1-10,16,19H,11-15H2/b21-16+
InChIKeyMDDMFGQZYYVSQD-LTGZKZEYSA-N
XLogP3.40
TPSA33.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-(2-phenylaziridin-1-yl)-1-[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-but-3-enyloxiran-2-yl)-N-(2-phenylaziridin-1-yl)methanimine
CID 71447104
(Z)-1-phenyl-N-(2-phenylaziridin-1-yl)-5-trimethylsilylpentan-3-imine
CID 135049364
(E)-5-phenoxy-N-(2-phenylaziridin-1-yl)pentan-1-imine
CID 11659356
3-phenyl-1-(3-phenylmorpholin-4-yl)propan-1-one
CID 110728347
4-[1-(2-phenylethyl)cyclopropyl]morpholine
CID 102513779
3-(2-phenylethyl)oxetan-3-ol
CID 83683318
2-methyl-3-(2-phenylethyl)oxolane-3-carboxylic acid
CID 114533705
(1E)-N-(2-phenylaziridin-1-yl)ethanimidoyl isocyanate
CID 177465689
[4-(2-phenylethyl)oxan-4-yl]methanamine
CID 83822239
2-phenylaziridine-1-carboxylic acid
CID 87708946
3-(2-phenylethyl)-6-oxa-3-azabicyclo[3.1.0]hexane
CID 54116015
3-phenyl-1-(2-phenylazetidin-1-yl)propan-1-one
CID 47034527

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-phenylaziridin-1-yl)-1-[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methanimine?
The IUPAC name of (E)-N-(2-phenylaziridin-1-yl)-1-[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methanimine (CID 177386915) is (E)-N-(2-phenylaziridin-1-yl)-1-[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methanimine.
What is the SMILES notation for (E)-N-(2-phenylaziridin-1-yl)-1-[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methanimine?
The canonical SMILES for (E)-N-(2-phenylaziridin-1-yl)-1-[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methanimine is C(=N/N1CC1c1ccccc1)\C1(CCc2ccccc2)OCCO1.
What is the InChIKey of (E)-N-(2-phenylaziridin-1-yl)-1-[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methanimine?
The InChIKey is MDDMFGQZYYVSQD-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-7-17(8-4-1)11-12-20(23-13-14-24-20)16-21-22-15-19(22)18-9-5-2-6-10-18/h1-10,16,19H,11-15H2/b21-16+.
What are the key properties of (E)-N-(2-phenylaziridin-1-yl)-1-[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methanimine?
(E)-N-(2-phenylaziridin-1-yl)-1-[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methanimine has a molecular weight of 322.41 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-phenylaziridin-1-yl)-1-[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methanimine is sourced from PubChem (CID 177386915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).