(8S)-8-ethyl-5,11-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene

C15H20N2 — CID 71192553

IUPAC(8S)-8-ethyl-5,11-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene
SMILESCC[C@@H]1C2=C(NCC(C)=C2)C2=NC=C(C)CC21
InChIInChI=1S/C15H20N2/c1-4-11-12-5-9(2)7-16-14(12)15-13(11)6-10(3)8-17-15/h5,8,11,13,16H,4,6-7H2,1-3H3/t11-,13?/m1/s1
InChIKeyZBMNLYCUOKMOMK-JTDNENJMSA-N
MW228.34 g/mol
LogP3.19
Rot. Bonds1

About (8S)-8-ethyl-5,11-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene

(8S)-8-ethyl-5,11-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene (PubChem CID 71192553) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (8S)-8-ethyl-5,11-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene.

Molecular Properties

Compound Name(8S)-8-ethyl-5,11-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene
PubChem CID71192553
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name(8S)-8-ethyl-5,11-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene
SMILESCC[C@@H]1C2=C(NCC(C)=C2)C2=NC=C(C)CC21
InChIInChI=1S/C15H20N2/c1-4-11-12-5-9(2)7-16-14(12)15-13(11)6-10(3)8-17-15/h5,8,11,13,16H,4,6-7H2,1-3H3/t11-,13?/m1/s1
InChIKeyZBMNLYCUOKMOMK-JTDNENJMSA-N
XLogP3.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8S)-8-ethyl-5,11-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene?
The IUPAC name of (8S)-8-ethyl-5,11-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene (CID 71192553) is (8S)-8-ethyl-5,11-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene.
What is the SMILES notation for (8S)-8-ethyl-5,11-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene?
The canonical SMILES for (8S)-8-ethyl-5,11-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene is CC[C@@H]1C2=C(NCC(C)=C2)C2=NC=C(C)CC21.
What is the InChIKey of (8S)-8-ethyl-5,11-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene?
The InChIKey is ZBMNLYCUOKMOMK-JTDNENJMSA-N. The full InChI is InChI=1S/C15H20N2/c1-4-11-12-5-9(2)7-16-14(12)15-13(11)6-10(3)8-17-15/h5,8,11,13,16H,4,6-7H2,1-3H3/t11-,13?/m1/s1.
What are the key properties of (8S)-8-ethyl-5,11-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene?
(8S)-8-ethyl-5,11-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene has a molecular weight of 228.34 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-ethyl-5,11-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene is sourced from PubChem (CID 71192553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).