(E)-N-(2,2-diethoxyethoxy)-1-phenylpropan-1-imine

C15H23NO3 — CID 10706817

IUPAC(E)-N-(2,2-diethoxyethoxy)-1-phenylpropan-1-imine
SMILESCCOC(CO/N=C(\CC)c1ccccc1)OCC
InChIInChI=1S/C15H23NO3/c1-4-14(13-10-8-7-9-11-13)16-19-12-15(17-5-2)18-6-3/h7-11,15H,4-6,12H2,1-3H3/b16-14+
InChIKeyIINCVRYYEQHLFF-JQIJEIRASA-N
MW265.35 g/mol
LogP3.22
Rot. Bonds9

About (E)-N-(2,2-diethoxyethoxy)-1-phenylpropan-1-imine

(E)-N-(2,2-diethoxyethoxy)-1-phenylpropan-1-imine (PubChem CID 10706817) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (E)-N-(2,2-diethoxyethoxy)-1-phenylpropan-1-imine.

Molecular Properties

Compound Name(E)-N-(2,2-diethoxyethoxy)-1-phenylpropan-1-imine
PubChem CID10706817
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(E)-N-(2,2-diethoxyethoxy)-1-phenylpropan-1-imine
SMILESCCOC(CO/N=C(\CC)c1ccccc1)OCC
InChIInChI=1S/C15H23NO3/c1-4-14(13-10-8-7-9-11-13)16-19-12-15(17-5-2)18-6-3/h7-11,15H,4-6,12H2,1-3H3/b16-14+
InChIKeyIINCVRYYEQHLFF-JQIJEIRASA-N
XLogP3.22
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-chlorophenyl)-N-(2,2-diethoxyethoxy)ethanimine
CID 10517282
ethyl [(E)-1-phenylpropylideneamino] carbonate
CID 134874580
4-[(E)-N-ethoxy-C-ethylcarbonimidoyl]phenol
CID 136991359
1-(1-phenylpropylideneamino)ethanol
CID 174080576
(2-ethoxy-2-phenylmethoxyethyl) benzoate
CID 67036825
(Z)-N,N'-dimethoxy-1,4-diphenylbutane-1,4-diimine
CID 87328023
6,6-diethoxy-1-phenylhexan-1-one
CID 141451964
(E)-1-(4-ethylphenyl)-N-(2-phenoxyethoxy)propan-1-imine
CID 173205764
N-tert-butyl-1-phenylpropan-1-imine
CID 12694730
(N-diazonio-C-ethylcarbonimidoyl)benzene
CID 134845103
(2Z)-2-methoxyimino-1,2-diphenylethanol
CID 10922703
(1R)-4,4-diethoxy-1-phenylbutan-1-ol
CID 102265483

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,2-diethoxyethoxy)-1-phenylpropan-1-imine?
The IUPAC name of (E)-N-(2,2-diethoxyethoxy)-1-phenylpropan-1-imine (CID 10706817) is (E)-N-(2,2-diethoxyethoxy)-1-phenylpropan-1-imine.
What is the SMILES notation for (E)-N-(2,2-diethoxyethoxy)-1-phenylpropan-1-imine?
The canonical SMILES for (E)-N-(2,2-diethoxyethoxy)-1-phenylpropan-1-imine is CCOC(CO/N=C(\CC)c1ccccc1)OCC.
What is the InChIKey of (E)-N-(2,2-diethoxyethoxy)-1-phenylpropan-1-imine?
The InChIKey is IINCVRYYEQHLFF-JQIJEIRASA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-14(13-10-8-7-9-11-13)16-19-12-15(17-5-2)18-6-3/h7-11,15H,4-6,12H2,1-3H3/b16-14+.
What are the key properties of (E)-N-(2,2-diethoxyethoxy)-1-phenylpropan-1-imine?
(E)-N-(2,2-diethoxyethoxy)-1-phenylpropan-1-imine has a molecular weight of 265.35 g/mol, XLogP of 3.22, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,2-diethoxyethoxy)-1-phenylpropan-1-imine is sourced from PubChem (CID 10706817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).