1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1S)-1-phenylethyl]methanimine

C14H19NO2 — CID 16655666

IUPAC1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1S)-1-phenylethyl]methanimine
SMILESC[C@H](/N=C/[C@H]1COC(C)(C)O1)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-11(12-7-5-4-6-8-12)15-9-13-10-16-14(2,3)17-13/h4-9,11,13H,10H2,1-3H3/b15-9+/t11-,13-/m0/s1
InChIKeyLJQNEWWYKAKRTF-KQAANWFRSA-N
MW233.31 g/mol
LogP2.97
Rot. Bonds3

About 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1S)-1-phenylethyl]methanimine

1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1S)-1-phenylethyl]methanimine (PubChem CID 16655666) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1S)-1-phenylethyl]methanimine.

Molecular Properties

Compound Name1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1S)-1-phenylethyl]methanimine
PubChem CID16655666
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1S)-1-phenylethyl]methanimine
SMILESC[C@H](/N=C/[C@H]1COC(C)(C)O1)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-11(12-7-5-4-6-8-12)15-9-13-10-16-14(2,3)17-13/h4-9,11,13H,10H2,1-3H3/b15-9+/t11-,13-/m0/s1
InChIKeyLJQNEWWYKAKRTF-KQAANWFRSA-N
XLogP2.97
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.97
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

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-benzyl-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine oxide
CID 10925711
N-[(1R)-1-phenylethyl]-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methanimine oxide
CID 10945271
N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine
CID 10976959
N-benzyl-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine
CID 11195349
2,3-O-Cyclohexylidene-D-glyceraldehyde N-benzylnitrone, C~16~H~21~NO~3~
CID 12964007

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1S)-1-phenylethyl]methanimine?
The IUPAC name of 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1S)-1-phenylethyl]methanimine (CID 16655666) is 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1S)-1-phenylethyl]methanimine.
What is the SMILES notation for 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1S)-1-phenylethyl]methanimine?
The canonical SMILES for 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1S)-1-phenylethyl]methanimine is C[C@H](/N=C/[C@H]1COC(C)(C)O1)c1ccccc1.
What is the InChIKey of 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1S)-1-phenylethyl]methanimine?
The InChIKey is LJQNEWWYKAKRTF-KQAANWFRSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11(12-7-5-4-6-8-12)15-9-13-10-16-14(2,3)17-13/h4-9,11,13H,10H2,1-3H3/b15-9+/t11-,13-/m0/s1.
What are the key properties of 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1S)-1-phenylethyl]methanimine?
1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1S)-1-phenylethyl]methanimine has a molecular weight of 233.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1S)-1-phenylethyl]methanimine is sourced from PubChem (CID 16655666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).