6-azabicyclo[3.1.1]hepta-1(6),2,4-trien-7-amine

C6H6N2 — CID 67191529

IUPAC6-azabicyclo[3.1.1]hepta-1(6),2,4-trien-7-amine
SMILESNC1c2cccc1n2
InChIInChI=1S/C6H6N2/c7-6-4-2-1-3-5(6)8-4/h1-3,6H,7H2
InChIKeyWOYYLXMNIZOQHZ-UHFFFAOYSA-N
MW106.13 g/mol
LogP0.44
Rot. Bonds

About 6-azabicyclo[3.1.1]hepta-1(6),2,4-trien-7-amine

6-azabicyclo[3.1.1]hepta-1(6),2,4-trien-7-amine (PubChem CID 67191529) has the molecular formula C6H6N2 and a molecular weight of 106.13 g/mol. Its IUPAC name is 6-azabicyclo[3.1.1]hepta-1(6),2,4-trien-7-amine.

Molecular Properties

Compound Name6-azabicyclo[3.1.1]hepta-1(6),2,4-trien-7-amine
PubChem CID67191529
Molecular FormulaC6H6N2
Molecular Weight106.13 g/mol
Exact Mass106.05
IUPAC Name6-azabicyclo[3.1.1]hepta-1(6),2,4-trien-7-amine
SMILESNC1c2cccc1n2
InChIInChI=1S/C6H6N2/c7-6-4-2-1-3-5(6)8-4/h1-3,6H,7H2
InChIKeyWOYYLXMNIZOQHZ-UHFFFAOYSA-N
XLogP0.44
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.13
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-azabicyclo[3.1.1]hepta-1(6),2,4-trien-7-amine?
The IUPAC name of 6-azabicyclo[3.1.1]hepta-1(6),2,4-trien-7-amine (CID 67191529) is 6-azabicyclo[3.1.1]hepta-1(6),2,4-trien-7-amine.
What is the SMILES notation for 6-azabicyclo[3.1.1]hepta-1(6),2,4-trien-7-amine?
The canonical SMILES for 6-azabicyclo[3.1.1]hepta-1(6),2,4-trien-7-amine is NC1c2cccc1n2.
What is the InChIKey of 6-azabicyclo[3.1.1]hepta-1(6),2,4-trien-7-amine?
The InChIKey is WOYYLXMNIZOQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2/c7-6-4-2-1-3-5(6)8-4/h1-3,6H,7H2.
What are the key properties of 6-azabicyclo[3.1.1]hepta-1(6),2,4-trien-7-amine?
6-azabicyclo[3.1.1]hepta-1(6),2,4-trien-7-amine has a molecular weight of 106.13 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azabicyclo[3.1.1]hepta-1(6),2,4-trien-7-amine is sourced from PubChem (CID 67191529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).