(E)-3-(oxan-2-yloxy)-N-phenylmethoxypropan-1-imine

C15H21NO3 — CID 15246410

IUPAC(E)-3-(oxan-2-yloxy)-N-phenylmethoxypropan-1-imine
SMILESC(\CCOC1CCCCO1)=N/OCc1ccccc1
InChIInChI=1S/C15H21NO3/c1-2-7-14(8-3-1)13-19-16-10-6-12-18-15-9-4-5-11-17-15/h1-3,7-8,10,15H,4-6,9,11-13H2/b16-10+
InChIKeyCEGODAJHAJWLBH-MHWRWJLKSA-N
MW263.34 g/mol
LogP3.12
Rot. Bonds7

About (E)-3-(oxan-2-yloxy)-N-phenylmethoxypropan-1-imine

(E)-3-(oxan-2-yloxy)-N-phenylmethoxypropan-1-imine (PubChem CID 15246410) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (E)-3-(oxan-2-yloxy)-N-phenylmethoxypropan-1-imine.

Molecular Properties

Compound Name(E)-3-(oxan-2-yloxy)-N-phenylmethoxypropan-1-imine
PubChem CID15246410
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(E)-3-(oxan-2-yloxy)-N-phenylmethoxypropan-1-imine
SMILESC(\CCOC1CCCCO1)=N/OCc1ccccc1
InChIInChI=1S/C15H21NO3/c1-2-7-14(8-3-1)13-19-16-10-6-12-18-15-9-4-5-11-17-15/h1-3,7-8,10,15H,4-6,9,11-13H2/b16-10+
InChIKeyCEGODAJHAJWLBH-MHWRWJLKSA-N
XLogP3.12
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

Pentanal O-benzyloxime
CID 9602269
hex-anal-O-benzyloxime
CID 85980230
(Z)-1-cyclohexyl-N-phenylmethoxymethanimine
CID 101991396
(3S,6S)-2-(hydroxymethyl)-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol
CID 134852940
(3S,6R)-2-methyl-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol
CID 134852941
(3S,6R)-2-(hydroxymethyl)-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol
CID 134852942
(3R,6S)-2-(hydroxymethyl)-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol
CID 134852943
(3R,6R)-2-(hydroxymethyl)-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol
CID 134852944
(3S,6S)-2-methyl-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol
CID 134852945
2-methyl-N-(5-methyl-2-phenyl-1,3-dioxan-5-yl)propan-1-imine oxide
CID 134854883
2-[(2S)-oxan-2-yl]oxy-N-phenylmethoxyethanimine
CID 134863091
(4R,6R)-6-butoxy-2-oxido-4-phenylmethoxy-5,6-dihydro-4H-oxazin-2-ium
CID 134876798

Frequently Asked Questions

What is the IUPAC name of (E)-3-(oxan-2-yloxy)-N-phenylmethoxypropan-1-imine?
The IUPAC name of (E)-3-(oxan-2-yloxy)-N-phenylmethoxypropan-1-imine (CID 15246410) is (E)-3-(oxan-2-yloxy)-N-phenylmethoxypropan-1-imine.
What is the SMILES notation for (E)-3-(oxan-2-yloxy)-N-phenylmethoxypropan-1-imine?
The canonical SMILES for (E)-3-(oxan-2-yloxy)-N-phenylmethoxypropan-1-imine is C(\CCOC1CCCCO1)=N/OCc1ccccc1.
What is the InChIKey of (E)-3-(oxan-2-yloxy)-N-phenylmethoxypropan-1-imine?
The InChIKey is CEGODAJHAJWLBH-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-7-14(8-3-1)13-19-16-10-6-12-18-15-9-4-5-11-17-15/h1-3,7-8,10,15H,4-6,9,11-13H2/b16-10+.
What are the key properties of (E)-3-(oxan-2-yloxy)-N-phenylmethoxypropan-1-imine?
(E)-3-(oxan-2-yloxy)-N-phenylmethoxypropan-1-imine has a molecular weight of 263.34 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(oxan-2-yloxy)-N-phenylmethoxypropan-1-imine is sourced from PubChem (CID 15246410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).