3-azabicyclo[3.1.0]hexan-3-amine

C5H10N2 — CID 56972758

IUPAC3-azabicyclo[3.1.0]hexan-3-amine
SMILESNN1CC2CC2C1
InChIInChI=1S/C5H10N2/c6-7-2-4-1-5(4)3-7/h4-5H,1-3,6H2
InChIKeySFMIUDWJQMWODF-UHFFFAOYSA-N
MW98.15 g/mol
LogP-0.19
Rot. Bonds

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

3-azabicyclo[3.1.0]hexan-3-amine (PubChem CID 56972758) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 3-azabicyclo[3.1.0]hexan-3-amine.

Molecular Properties

Compound Name3-azabicyclo[3.1.0]hexan-3-amine
PubChem CID56972758
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name3-azabicyclo[3.1.0]hexan-3-amine
SMILESNN1CC2CC2C1
InChIInChI=1S/C5H10N2/c6-7-2-4-1-5(4)3-7/h4-5H,1-3,6H2
InChIKeySFMIUDWJQMWODF-UHFFFAOYSA-N
XLogP-0.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.1.0]hexan-3-amine?
The IUPAC name of 3-azabicyclo[3.1.0]hexan-3-amine (CID 56972758) is 3-azabicyclo[3.1.0]hexan-3-amine.
What is the SMILES notation for 3-azabicyclo[3.1.0]hexan-3-amine?
The canonical SMILES for 3-azabicyclo[3.1.0]hexan-3-amine is NN1CC2CC2C1.
What is the InChIKey of 3-azabicyclo[3.1.0]hexan-3-amine?
The InChIKey is SFMIUDWJQMWODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c6-7-2-4-1-5(4)3-7/h4-5H,1-3,6H2.
What are the key properties of 3-azabicyclo[3.1.0]hexan-3-amine?
3-azabicyclo[3.1.0]hexan-3-amine has a molecular weight of 98.15 g/mol, XLogP of -0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.1.0]hexan-3-amine is sourced from PubChem (CID 56972758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).