6-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine

C12H16N2 — CID 146617893

IUPAC6-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine
SMILESCC1CCc2nc3c(c(N)c21)CCC3
InChIInChI=1S/C12H16N2/c1-7-5-6-10-11(7)12(13)8-3-2-4-9(8)14-10/h7H,2-6H2,1H3,(H2,13,14)
InChIKeyLDCLBOYTVJIILE-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.20
Rot. Bonds

About 6-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine

6-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine (PubChem CID 146617893) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 6-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine.

Molecular Properties

Compound Name6-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine
PubChem CID146617893
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name6-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine
SMILESCC1CCc2nc3c(c(N)c21)CCC3
InChIInChI=1S/C12H16N2/c1-7-5-6-10-11(7)12(13)8-3-2-4-9(8)14-10/h7H,2-6H2,1H3,(H2,13,14)
InChIKeyLDCLBOYTVJIILE-UHFFFAOYSA-N
XLogP2.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine?
The IUPAC name of 6-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine (CID 146617893) is 6-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine.
What is the SMILES notation for 6-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine?
The canonical SMILES for 6-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine is CC1CCc2nc3c(c(N)c21)CCC3.
What is the InChIKey of 6-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine?
The InChIKey is LDCLBOYTVJIILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-7-5-6-10-11(7)12(13)8-3-2-4-9(8)14-10/h7H,2-6H2,1H3,(H2,13,14).
What are the key properties of 6-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine?
6-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine has a molecular weight of 188.27 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine is sourced from PubChem (CID 146617893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).