(2-methyl-3-phenyldiaziridin-1-yl)-phenylmethanimine

C15H15N3 — CID 163884975

IUPAC(2-methyl-3-phenyldiaziridin-1-yl)-phenylmethanimine
SMILES[H]/N=C(\c1ccccc1)N1C(c2ccccc2)N1C
InChIInChI=1S/C15H15N3/c1-17-15(13-10-6-3-7-11-13)18(17)14(16)12-8-4-2-5-9-12/h2-11,15-16H,1H3/b16-14+
InChIKeyPWOCOXILTUUQTK-JQIJEIRASA-N
MW237.31 g/mol
LogP2.87
Rot. Bonds2

About (2-methyl-3-phenyldiaziridin-1-yl)-phenylmethanimine

(2-methyl-3-phenyldiaziridin-1-yl)-phenylmethanimine (PubChem CID 163884975) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is (2-methyl-3-phenyldiaziridin-1-yl)-phenylmethanimine.

Molecular Properties

Compound Name(2-methyl-3-phenyldiaziridin-1-yl)-phenylmethanimine
PubChem CID163884975
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name(2-methyl-3-phenyldiaziridin-1-yl)-phenylmethanimine
SMILES[H]/N=C(\c1ccccc1)N1C(c2ccccc2)N1C
InChIInChI=1S/C15H15N3/c1-17-15(13-10-6-3-7-11-13)18(17)14(16)12-8-4-2-5-9-12/h2-11,15-16H,1H3/b16-14+
InChIKeyPWOCOXILTUUQTK-JQIJEIRASA-N
XLogP2.87
TPSA29.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-phenyldiaziridin-1-yl)-phenylmethanimine?
The IUPAC name of (2-methyl-3-phenyldiaziridin-1-yl)-phenylmethanimine (CID 163884975) is (2-methyl-3-phenyldiaziridin-1-yl)-phenylmethanimine.
What is the SMILES notation for (2-methyl-3-phenyldiaziridin-1-yl)-phenylmethanimine?
The canonical SMILES for (2-methyl-3-phenyldiaziridin-1-yl)-phenylmethanimine is [H]/N=C(\c1ccccc1)N1C(c2ccccc2)N1C.
What is the InChIKey of (2-methyl-3-phenyldiaziridin-1-yl)-phenylmethanimine?
The InChIKey is PWOCOXILTUUQTK-JQIJEIRASA-N. The full InChI is InChI=1S/C15H15N3/c1-17-15(13-10-6-3-7-11-13)18(17)14(16)12-8-4-2-5-9-12/h2-11,15-16H,1H3/b16-14+.
What are the key properties of (2-methyl-3-phenyldiaziridin-1-yl)-phenylmethanimine?
(2-methyl-3-phenyldiaziridin-1-yl)-phenylmethanimine has a molecular weight of 237.31 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-phenyldiaziridin-1-yl)-phenylmethanimine is sourced from PubChem (CID 163884975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).