N-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanimine

C14H19NO2 — CID 85389732

IUPACN-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanimine
SMILESCC1(C)OCC(C/C=N/Cc2ccccc2)O1
InChIInChI=1S/C14H19NO2/c1-14(2)16-11-13(17-14)8-9-15-10-12-6-4-3-5-7-12/h3-7,9,13H,8,10-11H2,1-2H3/b15-9+
InChIKeyYBOPKVAEEQNZJF-OQLLNIDSSA-N
MW233.31 g/mol
LogP2.80
Rot. Bonds4

About N-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanimine

N-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanimine (PubChem CID 85389732) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanimine.

Molecular Properties

Compound NameN-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanimine
PubChem CID85389732
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanimine
SMILESCC1(C)OCC(C/C=N/Cc2ccccc2)O1
InChIInChI=1S/C14H19NO2/c1-14(2)16-11-13(17-14)8-9-15-10-12-6-4-3-5-7-12/h3-7,9,13H,8,10-11H2,1-2H3/b15-9+
InChIKeyYBOPKVAEEQNZJF-OQLLNIDSSA-N
XLogP2.80
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethyl N-benzylimidocarbonate
CID 80429
N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine oxide
CID 42642786
N-benzhydryl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine oxide
CID 14065529
(S,Z)-N-((2,2-dimethyl-1,3-dioxolan-4-yl)methylene)-1-phenylmethanamine oxide
CID 2753972
(Z)-N-Benzyl-1-((4S,5R)-2,2-dimethyl-5-vinyl-1,3-dioxolan-4-YL)methanimine oxide
CID 10801381
N-benzyl-1,4-dioxaspiro[4.5]decan-8-imine
CID 11043015
N-benzyl-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine oxide
CID 11368337
N-benzyl-2,2-diethoxyethanimine
CID 13977689
N-benzyloxolan-2-imine
CID 14529224
1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-N-benzylmethanimine oxide
CID 10244692
N-benzyl-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine oxide
CID 10339695
N-benzyl-1-(oxolan-2-yl)methanimine oxide
CID 10398033

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanimine?
The IUPAC name of N-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanimine (CID 85389732) is N-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanimine.
What is the SMILES notation for N-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanimine?
The canonical SMILES for N-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanimine is CC1(C)OCC(C/C=N/Cc2ccccc2)O1.
What is the InChIKey of N-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanimine?
The InChIKey is YBOPKVAEEQNZJF-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2)16-11-13(17-14)8-9-15-10-12-6-4-3-5-7-12/h3-7,9,13H,8,10-11H2,1-2H3/b15-9+.
What are the key properties of N-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanimine?
N-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanimine has a molecular weight of 233.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanimine is sourced from PubChem (CID 85389732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).