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

C19H21NO3 — CID 14065529

IUPACN-benzhydryl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine oxide
SMILESCC1(C)OC[C@H](/C=[N+](\[O-])C(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C19H21NO3/c1-19(2)22-14-17(23-19)13-20(21)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,17-18H,14H2,1-2H3/b20-13-/t17-/m0/s1
InChIKeyHZRAOXZAOXVUMH-IZQLPPHKSA-N
MW311.38 g/mol
LogP3.51
Rot. Bonds4

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

N-benzhydryl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine oxide (PubChem CID 14065529) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-benzhydryl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine oxide.

Molecular Properties

Compound NameN-benzhydryl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine oxide
PubChem CID14065529
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-benzhydryl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine oxide
SMILESCC1(C)OC[C@H](/C=[N+](\[O-])C(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C19H21NO3/c1-19(2)22-14-17(23-19)13-20(21)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,17-18H,14H2,1-2H3/b20-13-/t17-/m0/s1
InChIKeyHZRAOXZAOXVUMH-IZQLPPHKSA-N
XLogP3.51
TPSA44.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.51
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'}

Analyze N-benzhydryl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine oxide
CID 42642786
(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-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine oxide
CID 11368337
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
(2S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]propan-1-imine
CID 13479347
N-benzyl-1-[(2R,3R)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methanimine
CID 14133091
N-benzyl-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methanimine oxide
CID 14395982

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine oxide?
The IUPAC name of N-benzhydryl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine oxide (CID 14065529) is N-benzhydryl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine oxide.
What is the SMILES notation for N-benzhydryl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine oxide?
The canonical SMILES for N-benzhydryl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine oxide is CC1(C)OC[C@H](/C=[N+](\[O-])C(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of N-benzhydryl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine oxide?
The InChIKey is HZRAOXZAOXVUMH-IZQLPPHKSA-N. The full InChI is InChI=1S/C19H21NO3/c1-19(2)22-14-17(23-19)13-20(21)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,17-18H,14H2,1-2H3/b20-13-/t17-/m0/s1.
What are the key properties of N-benzhydryl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine oxide?
N-benzhydryl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine oxide has a molecular weight of 311.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine oxide is sourced from PubChem (CID 14065529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).