(6S)-3,5-dimethyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene

C15H16N2 — CID 138970687

IUPAC(6S)-3,5-dimethyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene
SMILESCC1=C2c3cccc4[nH]cc(c34)C[C@@H]2N(C)C1
InChIInChI=1S/C15H16N2/c1-9-8-17(2)13-6-10-7-16-12-5-3-4-11(14(9)13)15(10)12/h3-5,7,13,16H,6,8H2,1-2H3/t13-/m0/s1
InChIKeyRPXUUBMTYUVNHL-ZDUSSCGKSA-N
MW224.31 g/mol
LogP2.81
Rot. Bonds

About (6S)-3,5-dimethyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene

(6S)-3,5-dimethyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene (PubChem CID 138970687) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is (6S)-3,5-dimethyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene.

Molecular Properties

Compound Name(6S)-3,5-dimethyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene
PubChem CID138970687
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name(6S)-3,5-dimethyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene
SMILESCC1=C2c3cccc4[nH]cc(c34)C[C@@H]2N(C)C1
InChIInChI=1S/C15H16N2/c1-9-8-17(2)13-6-10-7-16-12-5-3-4-11(14(9)13)15(10)12/h3-5,7,13,16H,6,8H2,1-2H3/t13-/m0/s1
InChIKeyRPXUUBMTYUVNHL-ZDUSSCGKSA-N
XLogP2.81
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (6S)-3,5-dimethyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene with MolForge

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Related Compounds

ethyl 5-methyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-3-carboxylate;hydrochloride
CID 24824018
(6aR)-9-(iodomethyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline
CID 166091886
N,N,7-trimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 53463870
(6aS,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid
CID 102031246
7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid;hydrate
CID 23333323
methyl (6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
CID 13243563
(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methylsulfanylmethane
CID 174364920
(6aS,9S)-N-hydroxy-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 94654100
7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline
CID 166091851
(6aR,9R)-7-methyl-9-(phenylsulfanylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline
CID 14107774
N-(2-bicyclo[1.1.1]pentanyl)-N,7-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 170723236
N-cyclopropyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 78302734

Frequently Asked Questions

What is the IUPAC name of (6S)-3,5-dimethyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene?
The IUPAC name of (6S)-3,5-dimethyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene (CID 138970687) is (6S)-3,5-dimethyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene.
What is the SMILES notation for (6S)-3,5-dimethyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene?
The canonical SMILES for (6S)-3,5-dimethyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene is CC1=C2c3cccc4[nH]cc(c34)C[C@@H]2N(C)C1.
What is the InChIKey of (6S)-3,5-dimethyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene?
The InChIKey is RPXUUBMTYUVNHL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16N2/c1-9-8-17(2)13-6-10-7-16-12-5-3-4-11(14(9)13)15(10)12/h3-5,7,13,16H,6,8H2,1-2H3/t13-/m0/s1.
What are the key properties of (6S)-3,5-dimethyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene?
(6S)-3,5-dimethyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene has a molecular weight of 224.31 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3,5-dimethyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene is sourced from PubChem (CID 138970687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).