(4R,12R)-4,8,12-trimethyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene

C14H19N — CID 155023347

IUPAC(4R,12R)-4,8,12-trimethyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene
SMILESCc1c2c(nc3c1CC[C@H]3C)[C@H](C)CC2
InChIInChI=1S/C14H19N/c1-8-4-6-11-10(3)12-7-5-9(2)14(12)15-13(8)11/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyJZGUAYDSDJTXRF-RKDXNWHRSA-N
MW201.31 g/mol
LogP3.49
Rot. Bonds

About (4R,12R)-4,8,12-trimethyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene

(4R,12R)-4,8,12-trimethyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene (PubChem CID 155023347) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (4R,12R)-4,8,12-trimethyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene.

Molecular Properties

Compound Name(4R,12R)-4,8,12-trimethyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene
PubChem CID155023347
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(4R,12R)-4,8,12-trimethyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene
SMILESCc1c2c(nc3c1CC[C@H]3C)[C@H](C)CC2
InChIInChI=1S/C14H19N/c1-8-4-6-11-10(3)12-7-5-9(2)14(12)15-13(8)11/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyJZGUAYDSDJTXRF-RKDXNWHRSA-N
XLogP3.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R,12R)-4,8,12-trimethyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene?
The IUPAC name of (4R,12R)-4,8,12-trimethyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene (CID 155023347) is (4R,12R)-4,8,12-trimethyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene.
What is the SMILES notation for (4R,12R)-4,8,12-trimethyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene?
The canonical SMILES for (4R,12R)-4,8,12-trimethyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene is Cc1c2c(nc3c1CC[C@H]3C)[C@H](C)CC2.
What is the InChIKey of (4R,12R)-4,8,12-trimethyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene?
The InChIKey is JZGUAYDSDJTXRF-RKDXNWHRSA-N. The full InChI is InChI=1S/C14H19N/c1-8-4-6-11-10(3)12-7-5-9(2)14(12)15-13(8)11/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of (4R,12R)-4,8,12-trimethyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene?
(4R,12R)-4,8,12-trimethyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene has a molecular weight of 201.31 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,12R)-4,8,12-trimethyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene is sourced from PubChem (CID 155023347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).