3,3-dimethyl-2-N,1-diphenyl-4-N-(pyridin-2-ylmethyl)azetidine-2,4-diimine

C23H22N4 — CID 101351342

IUPAC3,3-dimethyl-2-N,1-diphenyl-4-N-(pyridin-2-ylmethyl)azetidine-2,4-diimine
SMILESCC1(C)/C(=N/Cc2ccccn2)N(c2ccccc2)/C1=N/c1ccccc1
InChIInChI=1S/C23H22N4/c1-23(2)21(25-17-19-13-9-10-16-24-19)27(20-14-7-4-8-15-20)22(23)26-18-11-5-3-6-12-18/h3-16H,17H2,1-2H3/b25-21-,26-22+
InChIKeyXZTJRCRZFSYMDS-KOUJMYIZSA-N
MW354.46 g/mol
LogP5.26
Rot. Bonds4

About 3,3-dimethyl-2-N,1-diphenyl-4-N-(pyridin-2-ylmethyl)azetidine-2,4-diimine

3,3-dimethyl-2-N,1-diphenyl-4-N-(pyridin-2-ylmethyl)azetidine-2,4-diimine (PubChem CID 101351342) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is 3,3-dimethyl-2-N,1-diphenyl-4-N-(pyridin-2-ylmethyl)azetidine-2,4-diimine.

Molecular Properties

Compound Name3,3-dimethyl-2-N,1-diphenyl-4-N-(pyridin-2-ylmethyl)azetidine-2,4-diimine
PubChem CID101351342
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC Name3,3-dimethyl-2-N,1-diphenyl-4-N-(pyridin-2-ylmethyl)azetidine-2,4-diimine
SMILESCC1(C)/C(=N/Cc2ccccn2)N(c2ccccc2)/C1=N/c1ccccc1
InChIInChI=1S/C23H22N4/c1-23(2)21(25-17-19-13-9-10-16-24-19)27(20-14-7-4-8-15-20)22(23)26-18-11-5-3-6-12-18/h3-16H,17H2,1-2H3/b25-21-,26-22+
InChIKeyXZTJRCRZFSYMDS-KOUJMYIZSA-N
XLogP5.26
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.46
LogP ≤ 55.26
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

phenyl(pyridin-2-ylmethyl)diazene
CID 54008576
5-methyl-5-propan-2-yl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-one
CID 135989212
4-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazinan-2-imine
CID 136987620
7,7-dimethyl-2-(pyridin-2-ylmethylimino)bicyclo[2.2.1]heptane-1-carboxylic acid
CID 134940270
(1S,4R)-7,7-dimethyl-2-(pyridin-2-ylmethylimino)bicyclo[2.2.1]heptane-1-carboxylic acid
CID 101431000
ethane;2-ethylpyridine
CID 91102000
ethane;pyridin-2-ylmethanamine
CID 90791011
2-(pyridin-2-ylmethylsulfanylmethyl)pyridine
CID 12047870
2-ethylpyridine;sulfane
CID 67363352
4-phenyl-1,2-bis(pyridin-2-ylmethyl)-1,2,4-triazolidine-3,5-dione
CID 1089007
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
N-(4-chlorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-2-imine
CID 24788545

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-N,1-diphenyl-4-N-(pyridin-2-ylmethyl)azetidine-2,4-diimine?
The IUPAC name of 3,3-dimethyl-2-N,1-diphenyl-4-N-(pyridin-2-ylmethyl)azetidine-2,4-diimine (CID 101351342) is 3,3-dimethyl-2-N,1-diphenyl-4-N-(pyridin-2-ylmethyl)azetidine-2,4-diimine.
What is the SMILES notation for 3,3-dimethyl-2-N,1-diphenyl-4-N-(pyridin-2-ylmethyl)azetidine-2,4-diimine?
The canonical SMILES for 3,3-dimethyl-2-N,1-diphenyl-4-N-(pyridin-2-ylmethyl)azetidine-2,4-diimine is CC1(C)/C(=N/Cc2ccccn2)N(c2ccccc2)/C1=N/c1ccccc1.
What is the InChIKey of 3,3-dimethyl-2-N,1-diphenyl-4-N-(pyridin-2-ylmethyl)azetidine-2,4-diimine?
The InChIKey is XZTJRCRZFSYMDS-KOUJMYIZSA-N. The full InChI is InChI=1S/C23H22N4/c1-23(2)21(25-17-19-13-9-10-16-24-19)27(20-14-7-4-8-15-20)22(23)26-18-11-5-3-6-12-18/h3-16H,17H2,1-2H3/b25-21-,26-22+.
What are the key properties of 3,3-dimethyl-2-N,1-diphenyl-4-N-(pyridin-2-ylmethyl)azetidine-2,4-diimine?
3,3-dimethyl-2-N,1-diphenyl-4-N-(pyridin-2-ylmethyl)azetidine-2,4-diimine has a molecular weight of 354.46 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-N,1-diphenyl-4-N-(pyridin-2-ylmethyl)azetidine-2,4-diimine is sourced from PubChem (CID 101351342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).