17,17-dimethyl-9,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene

C17H14N2 — CID 164705526

IUPAC17,17-dimethyl-9,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
SMILESCC1(C)c2cccnc2-c2nc3ccccc3cc21
InChIInChI=1S/C17H14N2/c1-17(2)12-7-5-9-18-15(12)16-13(17)10-11-6-3-4-8-14(11)19-16/h3-10H,1-2H3
InChIKeyFDOQMQUPCCPJJQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.94
Rot. Bonds

About 17,17-dimethyl-9,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene

17,17-dimethyl-9,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene (PubChem CID 164705526) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 17,17-dimethyl-9,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene.

Molecular Properties

Compound Name17,17-dimethyl-9,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
PubChem CID164705526
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name17,17-dimethyl-9,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
SMILESCC1(C)c2cccnc2-c2nc3ccccc3cc21
InChIInChI=1S/C17H14N2/c1-17(2)12-7-5-9-18-15(12)16-13(17)10-11-6-3-4-8-14(11)19-16/h3-10H,1-2H3
InChIKeyFDOQMQUPCCPJJQ-UHFFFAOYSA-N
XLogP3.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 17,17-dimethyl-9,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene with MolForge

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Related Compounds

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CID 59747241
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8,8-dimethyl-4,12-di(quinolin-6-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58516892
3,3-dimethyl-14-oxa-8,23-diazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,15,17,19,21,23-undecaene
CID 170363296
5,5,9-trimethylindeno[1,2-b]pyridine
CID 58050073
8-[4,6-bis(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-1,3,5-triazin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine
CID 59747246
N-(8,8-dimethyl-3,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-8,8-dimethyl-N-phenyl-3,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-amine
CID 170523808
beryllium bis(5,5-dimethylindeno[1,2-b]pyridin-9-olate)
CID 58049972
7-[14-(5,5-dimethylindeno[1,2-b]pyridin-7-yl)-6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaenyl]-5,5-dimethylindeno[1,2-b]pyridine
CID 59845241
3-(3-fluoro-2-pyridinyl)-2-methoxyquinoline
CID 155909889
12,12-dimethyl-15-propan-2-yl-5,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene
CID 164748394
12,12,15-trimethyl-8,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene
CID 164748285

Frequently Asked Questions

What is the IUPAC name of 17,17-dimethyl-9,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The IUPAC name of 17,17-dimethyl-9,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene (CID 164705526) is 17,17-dimethyl-9,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene.
What is the SMILES notation for 17,17-dimethyl-9,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The canonical SMILES for 17,17-dimethyl-9,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene is CC1(C)c2cccnc2-c2nc3ccccc3cc21.
What is the InChIKey of 17,17-dimethyl-9,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The InChIKey is FDOQMQUPCCPJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c1-17(2)12-7-5-9-18-15(12)16-13(17)10-11-6-3-4-8-14(11)19-16/h3-10H,1-2H3.
What are the key properties of 17,17-dimethyl-9,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
17,17-dimethyl-9,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene has a molecular weight of 246.31 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17,17-dimethyl-9,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene is sourced from PubChem (CID 164705526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).