3-azabicyclo[3.1.0]hexan-6-amine

C5H10N2 — CID 4583497

IUPAC3-azabicyclo[3.1.0]hexan-6-amine
SMILESNC1C2CNCC12
InChIInChI=1S/C5H10N2/c6-5-3-1-7-2-4(3)5/h3-5,7H,1-2,6H2
InChIKeyMNUHYQZBNHDABI-UHFFFAOYSA-N
MW98.15 g/mol
LogP-0.84
Rot. Bonds

About 3-azabicyclo[3.1.0]hexan-6-amine

3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 4583497) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID4583497
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name3-azabicyclo[3.1.0]hexan-6-amine
SMILESNC1C2CNCC12
InChIInChI=1S/C5H10N2/c6-5-3-1-7-2-4(3)5/h3-5,7H,1-2,6H2
InChIKeyMNUHYQZBNHDABI-UHFFFAOYSA-N
XLogP-0.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of 3-azabicyclo[3.1.0]hexan-6-amine (CID 4583497) is 3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for 3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for 3-azabicyclo[3.1.0]hexan-6-amine is NC1C2CNCC12.
What is the InChIKey of 3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is MNUHYQZBNHDABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c6-5-3-1-7-2-4(3)5/h3-5,7H,1-2,6H2.
What are the key properties of 3-azabicyclo[3.1.0]hexan-6-amine?
3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 98.15 g/mol, XLogP of -0.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 4583497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).