(1S,9R)-1,5,12,12-tetramethyl-6-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene

C15H21N — CID 162993523

IUPAC(1S,9R)-1,5,12,12-tetramethyl-6-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
SMILESCc1ccc2c(n1)C[C@H]1CC[C@@]2(C)C1(C)C
InChIInChI=1S/C15H21N/c1-10-5-6-12-13(16-10)9-11-7-8-15(12,4)14(11,2)3/h5-6,11H,7-9H2,1-4H3/t11-,15-/m1/s1
InChIKeyBGCPDKKBYLHBFS-IAQYHMDHSA-N
MW215.34 g/mol
LogP3.64
Rot. Bonds

About (1S,9R)-1,5,12,12-tetramethyl-6-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene

(1S,9R)-1,5,12,12-tetramethyl-6-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene (PubChem CID 162993523) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (1S,9R)-1,5,12,12-tetramethyl-6-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene.

Molecular Properties

Compound Name(1S,9R)-1,5,12,12-tetramethyl-6-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
PubChem CID162993523
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(1S,9R)-1,5,12,12-tetramethyl-6-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
SMILESCc1ccc2c(n1)C[C@H]1CC[C@@]2(C)C1(C)C
InChIInChI=1S/C15H21N/c1-10-5-6-12-13(16-10)9-11-7-8-15(12,4)14(11,2)3/h5-6,11H,7-9H2,1-4H3/t11-,15-/m1/s1
InChIKeyBGCPDKKBYLHBFS-IAQYHMDHSA-N
XLogP3.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,9R)-1,5,12,12-tetramethyl-6-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The IUPAC name of (1S,9R)-1,5,12,12-tetramethyl-6-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene (CID 162993523) is (1S,9R)-1,5,12,12-tetramethyl-6-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene.
What is the SMILES notation for (1S,9R)-1,5,12,12-tetramethyl-6-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The canonical SMILES for (1S,9R)-1,5,12,12-tetramethyl-6-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene is Cc1ccc2c(n1)C[C@H]1CC[C@@]2(C)C1(C)C.
What is the InChIKey of (1S,9R)-1,5,12,12-tetramethyl-6-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The InChIKey is BGCPDKKBYLHBFS-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H21N/c1-10-5-6-12-13(16-10)9-11-7-8-15(12,4)14(11,2)3/h5-6,11H,7-9H2,1-4H3/t11-,15-/m1/s1.
What are the key properties of (1S,9R)-1,5,12,12-tetramethyl-6-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
(1S,9R)-1,5,12,12-tetramethyl-6-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene has a molecular weight of 215.34 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9R)-1,5,12,12-tetramethyl-6-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene is sourced from PubChem (CID 162993523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).