2-methyl-N-(5-methyl-2-phenyl-1,3-dioxan-5-yl)propan-1-imine oxide

C15H21NO3 — CID 134854883

IUPAC2-methyl-N-(5-methyl-2-phenyl-1,3-dioxan-5-yl)propan-1-imine oxide
SMILESCC(C)/C=[N+](\[O-])C1(C)COC(c2ccccc2)OC1
InChIInChI=1S/C15H21NO3/c1-12(2)9-16(17)15(3)10-18-14(19-11-15)13-7-5-4-6-8-13/h4-9,12,14H,10-11H2,1-3H3/b16-9-
InChIKeyPAZXLNLEZZDVIL-SXGWCWSVSA-N
MW263.34 g/mol
LogP2.73
Rot. Bonds3

About 2-methyl-N-(5-methyl-2-phenyl-1,3-dioxan-5-yl)propan-1-imine oxide

2-methyl-N-(5-methyl-2-phenyl-1,3-dioxan-5-yl)propan-1-imine oxide (PubChem CID 134854883) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-2-phenyl-1,3-dioxan-5-yl)propan-1-imine oxide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-2-phenyl-1,3-dioxan-5-yl)propan-1-imine oxide
PubChem CID134854883
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-methyl-N-(5-methyl-2-phenyl-1,3-dioxan-5-yl)propan-1-imine oxide
SMILESCC(C)/C=[N+](\[O-])C1(C)COC(c2ccccc2)OC1
InChIInChI=1S/C15H21NO3/c1-12(2)9-16(17)15(3)10-18-14(19-11-15)13-7-5-4-6-8-13/h4-9,12,14H,10-11H2,1-3H3/b16-9-
InChIKeyPAZXLNLEZZDVIL-SXGWCWSVSA-N
XLogP2.73
TPSA44.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-6-phenyl-1,5,2-dioxazinane
CID 372209
(3S,6S)-2,3-dimethyl-6-phenyl-1,5,2-dioxazinane
CID 10631631
(3R,6S)-2,3-dimethyl-6-phenyl-1,5,2-dioxazinane
CID 10774151
N-(5-methyl-2-phenyl-1,3-dioxan-5-yl)-1-phenylmethanimine oxide
CID 14911892
8,8-Dimethyl-2-phenyl-3,7,9-trioxa-1-azaspiro(4.5)dec-1-ene
CID 85832834
(2S,5R)-3,6-dimethoxy-5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-2H-pyrazine
CID 101407871
(2S,5R)-3-ethoxy-5-ethyl-5-methyl-6-phenylmethoxy-2-propan-2-yl-2H-pyrazine
CID 132536603
3-Methoxy-6-phenylmethoxy-2-propan-2-yl-2,5-dihydropyrazine
CID 134860951
(4R,6R)-6-butoxy-2-oxido-4-phenylmethoxy-5,6-dihydro-4H-oxazin-2-ium
CID 134876798
N-methyl-N-[(E)-[(2S,4S)-4-phenylmethoxy-1,3-dioxan-2-yl]methylideneamino]methanamine
CID 134883782
N-(3-methyl-1-phenylmethoxybutan-2-yl)-1-phenylmethanimine oxide
CID 134884538
N-(3-methyl-1-phenylmethoxybutan-2-yl)-2-phenylethanimine oxide
CID 134997138

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-2-phenyl-1,3-dioxan-5-yl)propan-1-imine oxide?
The IUPAC name of 2-methyl-N-(5-methyl-2-phenyl-1,3-dioxan-5-yl)propan-1-imine oxide (CID 134854883) is 2-methyl-N-(5-methyl-2-phenyl-1,3-dioxan-5-yl)propan-1-imine oxide.
What is the SMILES notation for 2-methyl-N-(5-methyl-2-phenyl-1,3-dioxan-5-yl)propan-1-imine oxide?
The canonical SMILES for 2-methyl-N-(5-methyl-2-phenyl-1,3-dioxan-5-yl)propan-1-imine oxide is CC(C)/C=[N+](\[O-])C1(C)COC(c2ccccc2)OC1.
What is the InChIKey of 2-methyl-N-(5-methyl-2-phenyl-1,3-dioxan-5-yl)propan-1-imine oxide?
The InChIKey is PAZXLNLEZZDVIL-SXGWCWSVSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12(2)9-16(17)15(3)10-18-14(19-11-15)13-7-5-4-6-8-13/h4-9,12,14H,10-11H2,1-3H3/b16-9-.
What are the key properties of 2-methyl-N-(5-methyl-2-phenyl-1,3-dioxan-5-yl)propan-1-imine oxide?
2-methyl-N-(5-methyl-2-phenyl-1,3-dioxan-5-yl)propan-1-imine oxide has a molecular weight of 263.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-2-phenyl-1,3-dioxan-5-yl)propan-1-imine oxide is sourced from PubChem (CID 134854883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).