(12R)-4-ethyl-9,12-dimethyl-2-azatricyclo[5.4.1.04,12]dodeca-1(11),2,5,7,9-pentaene

C15H17N — CID 89105201

IUPAC(12R)-4-ethyl-9,12-dimethyl-2-azatricyclo[5.4.1.04,12]dodeca-1(11),2,5,7,9-pentaene
SMILESCCC12C=CC3=CC(C)=CC=C(N=C1)[C@]32C
InChIInChI=1S/C15H17N/c1-4-15-8-7-12-9-11(2)5-6-13(16-10-15)14(12,15)3/h5-10H,4H2,1-3H3/t14-,15?/m0/s1
InChIKeyYFFVNFFMVDHPRP-MLCCFXAWSA-N
MW211.31 g/mol
LogP3.81
Rot. Bonds1

About (12R)-4-ethyl-9,12-dimethyl-2-azatricyclo[5.4.1.04,12]dodeca-1(11),2,5,7,9-pentaene

(12R)-4-ethyl-9,12-dimethyl-2-azatricyclo[5.4.1.04,12]dodeca-1(11),2,5,7,9-pentaene (PubChem CID 89105201) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is (12R)-4-ethyl-9,12-dimethyl-2-azatricyclo[5.4.1.04,12]dodeca-1(11),2,5,7,9-pentaene.

Molecular Properties

Compound Name(12R)-4-ethyl-9,12-dimethyl-2-azatricyclo[5.4.1.04,12]dodeca-1(11),2,5,7,9-pentaene
PubChem CID89105201
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name(12R)-4-ethyl-9,12-dimethyl-2-azatricyclo[5.4.1.04,12]dodeca-1(11),2,5,7,9-pentaene
SMILESCCC12C=CC3=CC(C)=CC=C(N=C1)[C@]32C
InChIInChI=1S/C15H17N/c1-4-15-8-7-12-9-11(2)5-6-13(16-10-15)14(12,15)3/h5-10H,4H2,1-3H3/t14-,15?/m0/s1
InChIKeyYFFVNFFMVDHPRP-MLCCFXAWSA-N
XLogP3.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (12R)-4-ethyl-9,12-dimethyl-2-azatricyclo[5.4.1.04,12]dodeca-1(11),2,5,7,9-pentaene?
The IUPAC name of (12R)-4-ethyl-9,12-dimethyl-2-azatricyclo[5.4.1.04,12]dodeca-1(11),2,5,7,9-pentaene (CID 89105201) is (12R)-4-ethyl-9,12-dimethyl-2-azatricyclo[5.4.1.04,12]dodeca-1(11),2,5,7,9-pentaene.
What is the SMILES notation for (12R)-4-ethyl-9,12-dimethyl-2-azatricyclo[5.4.1.04,12]dodeca-1(11),2,5,7,9-pentaene?
The canonical SMILES for (12R)-4-ethyl-9,12-dimethyl-2-azatricyclo[5.4.1.04,12]dodeca-1(11),2,5,7,9-pentaene is CCC12C=CC3=CC(C)=CC=C(N=C1)[C@]32C.
What is the InChIKey of (12R)-4-ethyl-9,12-dimethyl-2-azatricyclo[5.4.1.04,12]dodeca-1(11),2,5,7,9-pentaene?
The InChIKey is YFFVNFFMVDHPRP-MLCCFXAWSA-N. The full InChI is InChI=1S/C15H17N/c1-4-15-8-7-12-9-11(2)5-6-13(16-10-15)14(12,15)3/h5-10H,4H2,1-3H3/t14-,15?/m0/s1.
What are the key properties of (12R)-4-ethyl-9,12-dimethyl-2-azatricyclo[5.4.1.04,12]dodeca-1(11),2,5,7,9-pentaene?
(12R)-4-ethyl-9,12-dimethyl-2-azatricyclo[5.4.1.04,12]dodeca-1(11),2,5,7,9-pentaene has a molecular weight of 211.31 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (12R)-4-ethyl-9,12-dimethyl-2-azatricyclo[5.4.1.04,12]dodeca-1(11),2,5,7,9-pentaene is sourced from PubChem (CID 89105201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).