N-methyl-2-azabicyclo[4.2.0]octa-1,3,5-trien-5-amine

C8H10N2 — CID 67454849

IUPACN-methyl-2-azabicyclo[4.2.0]octa-1,3,5-trien-5-amine
SMILESCNc1ccnc2c1CC2
InChIInChI=1S/C8H10N2/c1-9-7-4-5-10-8-3-2-6(7)8/h4-5H,2-3H2,1H3,(H,9,10)
InChIKeyLHXKGLIAMIXNTM-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.22
Rot. Bonds1

About N-methyl-2-azabicyclo[4.2.0]octa-1,3,5-trien-5-amine

N-methyl-2-azabicyclo[4.2.0]octa-1,3,5-trien-5-amine (PubChem CID 67454849) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is N-methyl-2-azabicyclo[4.2.0]octa-1,3,5-trien-5-amine.

Molecular Properties

Compound NameN-methyl-2-azabicyclo[4.2.0]octa-1,3,5-trien-5-amine
PubChem CID67454849
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC NameN-methyl-2-azabicyclo[4.2.0]octa-1,3,5-trien-5-amine
SMILESCNc1ccnc2c1CC2
InChIInChI=1S/C8H10N2/c1-9-7-4-5-10-8-3-2-6(7)8/h4-5H,2-3H2,1H3,(H,9,10)
InChIKeyLHXKGLIAMIXNTM-UHFFFAOYSA-N
XLogP1.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-azabicyclo[4.2.0]octa-1,3,5-trien-5-amine?
The IUPAC name of N-methyl-2-azabicyclo[4.2.0]octa-1,3,5-trien-5-amine (CID 67454849) is N-methyl-2-azabicyclo[4.2.0]octa-1,3,5-trien-5-amine.
What is the SMILES notation for N-methyl-2-azabicyclo[4.2.0]octa-1,3,5-trien-5-amine?
The canonical SMILES for N-methyl-2-azabicyclo[4.2.0]octa-1,3,5-trien-5-amine is CNc1ccnc2c1CC2.
What is the InChIKey of N-methyl-2-azabicyclo[4.2.0]octa-1,3,5-trien-5-amine?
The InChIKey is LHXKGLIAMIXNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-9-7-4-5-10-8-3-2-6(7)8/h4-5H,2-3H2,1H3,(H,9,10).
What are the key properties of N-methyl-2-azabicyclo[4.2.0]octa-1,3,5-trien-5-amine?
N-methyl-2-azabicyclo[4.2.0]octa-1,3,5-trien-5-amine has a molecular weight of 134.18 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-azabicyclo[4.2.0]octa-1,3,5-trien-5-amine is sourced from PubChem (CID 67454849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).