5-(1H-azirin-2-yl)pentan-2-imine

C7H12N2 — CID 88941573

IUPAC5-(1H-azirin-2-yl)pentan-2-imine
SMILES[H]/N=C(\C)CCCC1=CN1
InChIInChI=1S/C7H12N2/c1-6(8)3-2-4-7-5-9-7/h5,8-9H,2-4H2,1H3/b8-6+
InChIKeyZGYZFFQAQZHQDD-SOFGYWHQSA-N
MW124.19 g/mol
LogP1.64
Rot. Bonds4

About 5-(1H-azirin-2-yl)pentan-2-imine

5-(1H-azirin-2-yl)pentan-2-imine (PubChem CID 88941573) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 5-(1H-azirin-2-yl)pentan-2-imine.

Molecular Properties

Compound Name5-(1H-azirin-2-yl)pentan-2-imine
PubChem CID88941573
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name5-(1H-azirin-2-yl)pentan-2-imine
SMILES[H]/N=C(\C)CCCC1=CN1
InChIInChI=1S/C7H12N2/c1-6(8)3-2-4-7-5-9-7/h5,8-9H,2-4H2,1H3/b8-6+
InChIKeyZGYZFFQAQZHQDD-SOFGYWHQSA-N
XLogP1.64
TPSA45.79 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-azirin-2-yl)pentan-2-imine?
The IUPAC name of 5-(1H-azirin-2-yl)pentan-2-imine (CID 88941573) is 5-(1H-azirin-2-yl)pentan-2-imine.
What is the SMILES notation for 5-(1H-azirin-2-yl)pentan-2-imine?
The canonical SMILES for 5-(1H-azirin-2-yl)pentan-2-imine is [H]/N=C(\C)CCCC1=CN1.
What is the InChIKey of 5-(1H-azirin-2-yl)pentan-2-imine?
The InChIKey is ZGYZFFQAQZHQDD-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H12N2/c1-6(8)3-2-4-7-5-9-7/h5,8-9H,2-4H2,1H3/b8-6+.
What are the key properties of 5-(1H-azirin-2-yl)pentan-2-imine?
5-(1H-azirin-2-yl)pentan-2-imine has a molecular weight of 124.19 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-azirin-2-yl)pentan-2-imine is sourced from PubChem (CID 88941573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).