N-benzyl-1,1-dimethoxymethanimine

C10H13NO2 — CID 12683291

IUPACN-benzyl-1,1-dimethoxymethanimine
SMILESCOC(=NCc1ccccc1)OC
InChIInChI=1S/C10H13NO2/c1-12-10(13-2)11-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyLVGOKVLQNBLKND-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.84
Rot. Bonds2

About N-benzyl-1,1-dimethoxymethanimine

N-benzyl-1,1-dimethoxymethanimine (PubChem CID 12683291) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is N-benzyl-1,1-dimethoxymethanimine.

Molecular Properties

Compound NameN-benzyl-1,1-dimethoxymethanimine
PubChem CID12683291
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC NameN-benzyl-1,1-dimethoxymethanimine
SMILESCOC(=NCc1ccccc1)OC
InChIInChI=1S/C10H13NO2/c1-12-10(13-2)11-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyLVGOKVLQNBLKND-UHFFFAOYSA-N
XLogP1.84
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Benzyltrimethylammonium methoxide
CID 8504
1,3-Bis(isocyanatomethyl)benzene
CID 19262
Benzyl isocyanate
CID 76639
(S)-(-)-1-Phenylethyl isocyanate
CID 2724173
1-(Isocyanatomethyl)-2-methylbenzene
CID 2733386
1-(Isocyanatomethyl)-4-methylbenzene
CID 2733388
(R)-(+)-1-Phenylethyl isocyanate
CID 7018262
p-Xylylene diisocyanate
CID 13907
3-Methylbenzyl isocyanate
CID 2733387
Benzyltrimethylammonium methyl carbonate
CID 10878836
alpha-Methylbenzyl isocyanate
CID 85760
[(1S)-1-isocyanatopropyl]benzene
CID 7018275

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,1-dimethoxymethanimine?
The IUPAC name of N-benzyl-1,1-dimethoxymethanimine (CID 12683291) is N-benzyl-1,1-dimethoxymethanimine.
What is the SMILES notation for N-benzyl-1,1-dimethoxymethanimine?
The canonical SMILES for N-benzyl-1,1-dimethoxymethanimine is COC(=NCc1ccccc1)OC.
What is the InChIKey of N-benzyl-1,1-dimethoxymethanimine?
The InChIKey is LVGOKVLQNBLKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-12-10(13-2)11-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of N-benzyl-1,1-dimethoxymethanimine?
N-benzyl-1,1-dimethoxymethanimine has a molecular weight of 179.22 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,1-dimethoxymethanimine is sourced from PubChem (CID 12683291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).