N-benzyl-1,1-dimethoxypropan-2-imine

C12H17NO2 — CID 71380533

IUPACN-benzyl-1,1-dimethoxypropan-2-imine
SMILESCOC(OC)/C(C)=N/Cc1ccccc1
InChIInChI=1S/C12H17NO2/c1-10(12(14-2)15-3)13-9-11-7-5-4-6-8-11/h4-8,12H,9H2,1-3H3/b13-10+
InChIKeyQYRMWAZQMYVFAL-JLHYYAGUSA-N
MW207.27 g/mol
LogP2.27
Rot. Bonds5

About N-benzyl-1,1-dimethoxypropan-2-imine

N-benzyl-1,1-dimethoxypropan-2-imine (PubChem CID 71380533) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-benzyl-1,1-dimethoxypropan-2-imine.

Molecular Properties

Compound NameN-benzyl-1,1-dimethoxypropan-2-imine
PubChem CID71380533
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-benzyl-1,1-dimethoxypropan-2-imine
SMILESCOC(OC)/C(C)=N/Cc1ccccc1
InChIInChI=1S/C12H17NO2/c1-10(12(14-2)15-3)13-9-11-7-5-4-6-8-11/h4-8,12H,9H2,1-3H3/b13-10+
InChIKeyQYRMWAZQMYVFAL-JLHYYAGUSA-N
XLogP2.27
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,1-dimethoxypropan-2-imine?
The IUPAC name of N-benzyl-1,1-dimethoxypropan-2-imine (CID 71380533) is N-benzyl-1,1-dimethoxypropan-2-imine.
What is the SMILES notation for N-benzyl-1,1-dimethoxypropan-2-imine?
The canonical SMILES for N-benzyl-1,1-dimethoxypropan-2-imine is COC(OC)/C(C)=N/Cc1ccccc1.
What is the InChIKey of N-benzyl-1,1-dimethoxypropan-2-imine?
The InChIKey is QYRMWAZQMYVFAL-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10(12(14-2)15-3)13-9-11-7-5-4-6-8-11/h4-8,12H,9H2,1-3H3/b13-10+.
What are the key properties of N-benzyl-1,1-dimethoxypropan-2-imine?
N-benzyl-1,1-dimethoxypropan-2-imine has a molecular weight of 207.27 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,1-dimethoxypropan-2-imine is sourced from PubChem (CID 71380533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).