(E)-5-phenoxy-N-(2-phenylaziridin-1-yl)pentan-1-imine

C19H22N2O — CID 11659356

IUPAC(E)-5-phenoxy-N-(2-phenylaziridin-1-yl)pentan-1-imine
SMILESC(\CCCCOc1ccccc1)=N/N1CC1c1ccccc1
InChIInChI=1S/C19H22N2O/c1-4-10-17(11-5-1)19-16-21(19)20-14-8-3-9-15-22-18-12-6-2-7-13-18/h1-2,4-7,10-14,19H,3,8-9,15-16H2/b20-14+
InChIKeyFNEFGISFHOVRNN-XSFVSMFZSA-N
MW294.40 g/mol
LogP4.28
Rot. Bonds8

About (E)-5-phenoxy-N-(2-phenylaziridin-1-yl)pentan-1-imine

(E)-5-phenoxy-N-(2-phenylaziridin-1-yl)pentan-1-imine (PubChem CID 11659356) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (E)-5-phenoxy-N-(2-phenylaziridin-1-yl)pentan-1-imine.

Molecular Properties

Compound Name(E)-5-phenoxy-N-(2-phenylaziridin-1-yl)pentan-1-imine
PubChem CID11659356
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(E)-5-phenoxy-N-(2-phenylaziridin-1-yl)pentan-1-imine
SMILESC(\CCCCOc1ccccc1)=N/N1CC1c1ccccc1
InChIInChI=1S/C19H22N2O/c1-4-10-17(11-5-1)19-16-21(19)20-14-8-3-9-15-22-18-12-6-2-7-13-18/h1-2,4-7,10-14,19H,3,8-9,15-16H2/b20-14+
InChIKeyFNEFGISFHOVRNN-XSFVSMFZSA-N
XLogP4.28
TPSA24.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
(1S,5R)-3-(4-phenoxybutyl)-3-azabicyclo[3.2.1]octan-8-amine;dihydrochloride
CID 154908285
3-(3-phenoxypropyl)-3-azabicyclo[3.2.2]nonane
CID 97356188
diethyl 2-[(7E)-7-(2-phenylaziridin-1-yl)iminohepta-2,3-dienyl]-2-prop-2-enylpropanedioate
CID 177483934
1,4-bis(7-phenoxyheptyl)piperazine;dihydrochloride
CID 155568603
1-cyclopropyl-6-phenoxyhexan-1-one
CID 64505245
(5-bromo-5-cyclopropylpentoxy)benzene
CID 63470935
methane;2-methyl-1-(5-phenoxypentyl)piperidine
CID 158922703
(3S,4R)-4-(hydroxymethyl)-1-(4-phenoxybutyl)piperidin-3-ol
CID 155510034
6-phenoxyhexyl(triphenyl)phosphanium
CID 71515133
(3S,4R)-1-(3-phenoxypropyl)pyrrolidine-3,4-diol
CID 79410528
1-cyclohexyl-4-(2-phenoxyethoxy)benzene
CID 14047825

Frequently Asked Questions

What is the IUPAC name of (E)-5-phenoxy-N-(2-phenylaziridin-1-yl)pentan-1-imine?
The IUPAC name of (E)-5-phenoxy-N-(2-phenylaziridin-1-yl)pentan-1-imine (CID 11659356) is (E)-5-phenoxy-N-(2-phenylaziridin-1-yl)pentan-1-imine.
What is the SMILES notation for (E)-5-phenoxy-N-(2-phenylaziridin-1-yl)pentan-1-imine?
The canonical SMILES for (E)-5-phenoxy-N-(2-phenylaziridin-1-yl)pentan-1-imine is C(\CCCCOc1ccccc1)=N/N1CC1c1ccccc1.
What is the InChIKey of (E)-5-phenoxy-N-(2-phenylaziridin-1-yl)pentan-1-imine?
The InChIKey is FNEFGISFHOVRNN-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H22N2O/c1-4-10-17(11-5-1)19-16-21(19)20-14-8-3-9-15-22-18-12-6-2-7-13-18/h1-2,4-7,10-14,19H,3,8-9,15-16H2/b20-14+.
What are the key properties of (E)-5-phenoxy-N-(2-phenylaziridin-1-yl)pentan-1-imine?
(E)-5-phenoxy-N-(2-phenylaziridin-1-yl)pentan-1-imine has a molecular weight of 294.40 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-phenoxy-N-(2-phenylaziridin-1-yl)pentan-1-imine is sourced from PubChem (CID 11659356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).