1-azatricyclo[3.3.1.03,7]nona-2,4,6-trien-4-amine

C8H8N2 — CID 67716843

IUPAC1-azatricyclo[3.3.1.03,7]nona-2,4,6-trien-4-amine
SMILESNC1=C2C=C3CN(C=C31)C2
InChIInChI=1S/C8H8N2/c9-8-6-1-5-2-10(3-6)4-7(5)8/h1,4H,2-3,9H2
InChIKeyANBTUVXMHSDDMV-UHFFFAOYSA-N
MW132.17 g/mol
LogP0.35
Rot. Bonds

About 1-azatricyclo[3.3.1.03,7]nona-2,4,6-trien-4-amine

1-azatricyclo[3.3.1.03,7]nona-2,4,6-trien-4-amine (PubChem CID 67716843) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 1-azatricyclo[3.3.1.03,7]nona-2,4,6-trien-4-amine.

Molecular Properties

Compound Name1-azatricyclo[3.3.1.03,7]nona-2,4,6-trien-4-amine
PubChem CID67716843
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name1-azatricyclo[3.3.1.03,7]nona-2,4,6-trien-4-amine
SMILESNC1=C2C=C3CN(C=C31)C2
InChIInChI=1S/C8H8N2/c9-8-6-1-5-2-10(3-6)4-7(5)8/h1,4H,2-3,9H2
InChIKeyANBTUVXMHSDDMV-UHFFFAOYSA-N
XLogP0.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-azatricyclo[3.3.1.03,7]nona-2,4,6-trien-4-amine?
The IUPAC name of 1-azatricyclo[3.3.1.03,7]nona-2,4,6-trien-4-amine (CID 67716843) is 1-azatricyclo[3.3.1.03,7]nona-2,4,6-trien-4-amine.
What is the SMILES notation for 1-azatricyclo[3.3.1.03,7]nona-2,4,6-trien-4-amine?
The canonical SMILES for 1-azatricyclo[3.3.1.03,7]nona-2,4,6-trien-4-amine is NC1=C2C=C3CN(C=C31)C2.
What is the InChIKey of 1-azatricyclo[3.3.1.03,7]nona-2,4,6-trien-4-amine?
The InChIKey is ANBTUVXMHSDDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c9-8-6-1-5-2-10(3-6)4-7(5)8/h1,4H,2-3,9H2.
What are the key properties of 1-azatricyclo[3.3.1.03,7]nona-2,4,6-trien-4-amine?
1-azatricyclo[3.3.1.03,7]nona-2,4,6-trien-4-amine has a molecular weight of 132.17 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatricyclo[3.3.1.03,7]nona-2,4,6-trien-4-amine is sourced from PubChem (CID 67716843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).