1-butan-2-yldiaziridine

C5H12N2 — CID 541449

IUPAC1-butan-2-yldiaziridine
SMILESCCC(C)N1CN1
InChIInChI=1S/C5H12N2/c1-3-5(2)7-4-6-7/h5-6H,3-4H2,1-2H3
InChIKeyXXYNXAZGGSAHNM-UHFFFAOYSA-N
MW100.17 g/mol
LogP0.56
Rot. Bonds2

About 1-butan-2-yldiaziridine

1-butan-2-yldiaziridine (PubChem CID 541449) has the molecular formula C5H12N2 and a molecular weight of 100.17 g/mol. Its IUPAC name is 1-butan-2-yldiaziridine.

Molecular Properties

Compound Name1-butan-2-yldiaziridine
PubChem CID541449
Molecular FormulaC5H12N2
Molecular Weight100.17 g/mol
Exact Mass100.10
IUPAC Name1-butan-2-yldiaziridine
SMILESCCC(C)N1CN1
InChIInChI=1S/C5H12N2/c1-3-5(2)7-4-6-7/h5-6H,3-4H2,1-2H3
InChIKeyXXYNXAZGGSAHNM-UHFFFAOYSA-N
XLogP0.56
TPSA24.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.17
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-butan-2-yldiaziridine?
The IUPAC name of 1-butan-2-yldiaziridine (CID 541449) is 1-butan-2-yldiaziridine.
What is the SMILES notation for 1-butan-2-yldiaziridine?
The canonical SMILES for 1-butan-2-yldiaziridine is CCC(C)N1CN1.
What is the InChIKey of 1-butan-2-yldiaziridine?
The InChIKey is XXYNXAZGGSAHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-3-5(2)7-4-6-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-butan-2-yldiaziridine?
1-butan-2-yldiaziridine has a molecular weight of 100.17 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yldiaziridine is sourced from PubChem (CID 541449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).