6-azabicyclo[3.2.0]heptan-6-amine

C6H12N2 — CID 77464035

IUPAC6-azabicyclo[3.2.0]heptan-6-amine
SMILESNN1CC2CCCC21
InChIInChI=1S/C6H12N2/c7-8-4-5-2-1-3-6(5)8/h5-6H,1-4,7H2
InChIKeyWQMYLMDNSJGMLD-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.34
Rot. Bonds

About 6-azabicyclo[3.2.0]heptan-6-amine

6-azabicyclo[3.2.0]heptan-6-amine (PubChem CID 77464035) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 6-azabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name6-azabicyclo[3.2.0]heptan-6-amine
PubChem CID77464035
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name6-azabicyclo[3.2.0]heptan-6-amine
SMILESNN1CC2CCCC21
InChIInChI=1S/C6H12N2/c7-8-4-5-2-1-3-6(5)8/h5-6H,1-4,7H2
InChIKeyWQMYLMDNSJGMLD-UHFFFAOYSA-N
XLogP0.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.34
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 6-azabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 6-azabicyclo[3.2.0]heptan-6-amine (CID 77464035) is 6-azabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 6-azabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 6-azabicyclo[3.2.0]heptan-6-amine is NN1CC2CCCC21.
What is the InChIKey of 6-azabicyclo[3.2.0]heptan-6-amine?
The InChIKey is WQMYLMDNSJGMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c7-8-4-5-2-1-3-6(5)8/h5-6H,1-4,7H2.
What are the key properties of 6-azabicyclo[3.2.0]heptan-6-amine?
6-azabicyclo[3.2.0]heptan-6-amine has a molecular weight of 112.18 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 77464035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).