3-methyl-3,18-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1,4,6,11,13,15,17-heptaene

C17H16N2 — CID 10514716

IUPAC3-methyl-3,18-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1,4,6,11,13,15,17-heptaene
SMILESCN1C=CC=C2CCCC3=c4ccccc4=NC3=C21
InChIInChI=1S/C17H16N2/c1-19-11-5-7-12-6-4-9-14-13-8-2-3-10-15(13)18-16(14)17(12)19/h2-3,5,7-8,10-11H,4,6,9H2,1H3
InChIKeyMAROWNVYSFZFNL-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.25
Rot. Bonds

About 3-methyl-3,18-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1,4,6,11,13,15,17-heptaene

3-methyl-3,18-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1,4,6,11,13,15,17-heptaene (PubChem CID 10514716) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-methyl-3,18-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1,4,6,11,13,15,17-heptaene.

Molecular Properties

Compound Name3-methyl-3,18-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1,4,6,11,13,15,17-heptaene
PubChem CID10514716
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name3-methyl-3,18-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1,4,6,11,13,15,17-heptaene
SMILESCN1C=CC=C2CCCC3=c4ccccc4=NC3=C21
InChIInChI=1S/C17H16N2/c1-19-11-5-7-12-6-4-9-14-13-8-2-3-10-15(13)18-16(14)17(12)19/h2-3,5,7-8,10-11H,4,6,9H2,1H3
InChIKeyMAROWNVYSFZFNL-UHFFFAOYSA-N
XLogP2.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,18-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1,4,6,11,13,15,17-heptaene?
The IUPAC name of 3-methyl-3,18-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1,4,6,11,13,15,17-heptaene (CID 10514716) is 3-methyl-3,18-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1,4,6,11,13,15,17-heptaene.
What is the SMILES notation for 3-methyl-3,18-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1,4,6,11,13,15,17-heptaene?
The canonical SMILES for 3-methyl-3,18-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1,4,6,11,13,15,17-heptaene is CN1C=CC=C2CCCC3=c4ccccc4=NC3=C21.
What is the InChIKey of 3-methyl-3,18-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1,4,6,11,13,15,17-heptaene?
The InChIKey is MAROWNVYSFZFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-19-11-5-7-12-6-4-9-14-13-8-2-3-10-15(13)18-16(14)17(12)19/h2-3,5,7-8,10-11H,4,6,9H2,1H3.
What are the key properties of 3-methyl-3,18-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1,4,6,11,13,15,17-heptaene?
3-methyl-3,18-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1,4,6,11,13,15,17-heptaene has a molecular weight of 248.33 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,18-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1,4,6,11,13,15,17-heptaene is sourced from PubChem (CID 10514716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).