4-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene

C15H18N2 — CID 70523638

IUPAC4-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene
SMILESCC1=CC2=C3CCC=C4NCC(=C43)CC2CN1
InChIInChI=1S/C15H18N2/c1-9-5-13-10(7-16-9)6-11-8-17-14-4-2-3-12(13)15(11)14/h4-5,10,16-17H,2-3,6-8H2,1H3
InChIKeyJQKBFXOGZQIMBG-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.39
Rot. Bonds

About 4-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene

4-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene (PubChem CID 70523638) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene.

Molecular Properties

Compound Name4-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene
PubChem CID70523638
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name4-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene
SMILESCC1=CC2=C3CCC=C4NCC(=C43)CC2CN1
InChIInChI=1S/C15H18N2/c1-9-5-13-10(7-16-9)6-11-8-17-14-4-2-3-12(13)15(11)14/h4-5,10,16-17H,2-3,6-8H2,1H3
InChIKeyJQKBFXOGZQIMBG-UHFFFAOYSA-N
XLogP2.39
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene?
The IUPAC name of 4-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene (CID 70523638) is 4-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene.
What is the SMILES notation for 4-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene?
The canonical SMILES for 4-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene is CC1=CC2=C3CCC=C4NCC(=C43)CC2CN1.
What is the InChIKey of 4-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene?
The InChIKey is JQKBFXOGZQIMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-9-5-13-10(7-16-9)6-11-8-17-14-4-2-3-12(13)15(11)14/h4-5,10,16-17H,2-3,6-8H2,1H3.
What are the key properties of 4-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene?
4-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene has a molecular weight of 226.32 g/mol, XLogP of 2.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene is sourced from PubChem (CID 70523638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).