15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene

C15H20N2 — CID 19879776

IUPAC15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene
SMILESCC1C2CC3C/N=C\CC4=C(C3)CC1C(=C4)N2
InChIInChI=1S/C15H20N2/c1-9-13-6-12-4-10-5-14(9)17-15(13)7-11(12)2-3-16-8-10/h3,7,9-10,13-14,17H,2,4-6,8H2,1H3/b16-3-
InChIKeyWCANUAFQUSCFPH-XFQLMFQHSA-N
MW228.34 g/mol
LogP2.68
Rot. Bonds

About 15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene

15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene (PubChem CID 19879776) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene.

Molecular Properties

Compound Name15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene
PubChem CID19879776
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene
SMILESCC1C2CC3C/N=C\CC4=C(C3)CC1C(=C4)N2
InChIInChI=1S/C15H20N2/c1-9-13-6-12-4-10-5-14(9)17-15(13)7-11(12)2-3-16-8-10/h3,7,9-10,13-14,17H,2,4-6,8H2,1H3/b16-3-
InChIKeyWCANUAFQUSCFPH-XFQLMFQHSA-N
XLogP2.68
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene?
The IUPAC name of 15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene (CID 19879776) is 15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene.
What is the SMILES notation for 15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene?
The canonical SMILES for 15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene is CC1C2CC3C/N=C\CC4=C(C3)CC1C(=C4)N2.
What is the InChIKey of 15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene?
The InChIKey is WCANUAFQUSCFPH-XFQLMFQHSA-N. The full InChI is InChI=1S/C15H20N2/c1-9-13-6-12-4-10-5-14(9)17-15(13)7-11(12)2-3-16-8-10/h3,7,9-10,13-14,17H,2,4-6,8H2,1H3/b16-3-.
What are the key properties of 15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene?
15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene has a molecular weight of 228.34 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene is sourced from PubChem (CID 19879776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).