2-(1,1-diphenylbutyl)aziridine

C18H21N — CID 88534913

IUPAC2-(1,1-diphenylbutyl)aziridine
SMILESCCCC(c1ccccc1)(c1ccccc1)C1CN1
InChIInChI=1S/C18H21N/c1-2-13-18(17-14-19-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17,19H,2,13-14H2,1H3
InChIKeyYMAPLUKATAOBEB-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.74
Rot. Bonds5

About 2-(1,1-diphenylbutyl)aziridine

2-(1,1-diphenylbutyl)aziridine (PubChem CID 88534913) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(1,1-diphenylbutyl)aziridine.

Molecular Properties

Compound Name2-(1,1-diphenylbutyl)aziridine
PubChem CID88534913
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name2-(1,1-diphenylbutyl)aziridine
SMILESCCCC(c1ccccc1)(c1ccccc1)C1CN1
InChIInChI=1S/C18H21N/c1-2-13-18(17-14-19-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17,19H,2,13-14H2,1H3
InChIKeyYMAPLUKATAOBEB-UHFFFAOYSA-N
XLogP3.74
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-diphenylbutyl)aziridine?
The IUPAC name of 2-(1,1-diphenylbutyl)aziridine (CID 88534913) is 2-(1,1-diphenylbutyl)aziridine.
What is the SMILES notation for 2-(1,1-diphenylbutyl)aziridine?
The canonical SMILES for 2-(1,1-diphenylbutyl)aziridine is CCCC(c1ccccc1)(c1ccccc1)C1CN1.
What is the InChIKey of 2-(1,1-diphenylbutyl)aziridine?
The InChIKey is YMAPLUKATAOBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-2-13-18(17-14-19-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17,19H,2,13-14H2,1H3.
What are the key properties of 2-(1,1-diphenylbutyl)aziridine?
2-(1,1-diphenylbutyl)aziridine has a molecular weight of 251.37 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-diphenylbutyl)aziridine is sourced from PubChem (CID 88534913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).