4-(aziridin-2-yl)aniline

C8H10N2 — CID 87528388

IUPAC4-(aziridin-2-yl)aniline
SMILESNc1ccc(C2CN2)cc1
InChIInChI=1S/C8H10N2/c9-7-3-1-6(2-4-7)8-5-10-8/h1-4,8,10H,5,9H2
InChIKeyQQAAWZMPQIYIMY-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.91
Rot. Bonds1

About 4-(aziridin-2-yl)aniline

4-(aziridin-2-yl)aniline (PubChem CID 87528388) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 4-(aziridin-2-yl)aniline.

Molecular Properties

Compound Name4-(aziridin-2-yl)aniline
PubChem CID87528388
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name4-(aziridin-2-yl)aniline
SMILESNc1ccc(C2CN2)cc1
InChIInChI=1S/C8H10N2/c9-7-3-1-6(2-4-7)8-5-10-8/h1-4,8,10H,5,9H2
InChIKeyQQAAWZMPQIYIMY-UHFFFAOYSA-N
XLogP0.91
TPSA47.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(aziridin-2-yl)aniline?
The IUPAC name of 4-(aziridin-2-yl)aniline (CID 87528388) is 4-(aziridin-2-yl)aniline.
What is the SMILES notation for 4-(aziridin-2-yl)aniline?
The canonical SMILES for 4-(aziridin-2-yl)aniline is Nc1ccc(C2CN2)cc1.
What is the InChIKey of 4-(aziridin-2-yl)aniline?
The InChIKey is QQAAWZMPQIYIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c9-7-3-1-6(2-4-7)8-5-10-8/h1-4,8,10H,5,9H2.
What are the key properties of 4-(aziridin-2-yl)aniline?
4-(aziridin-2-yl)aniline has a molecular weight of 134.18 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aziridin-2-yl)aniline is sourced from PubChem (CID 87528388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).