2-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene

C15H18N2 — CID 163750965

IUPAC2-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
SMILESCC1C2=C3CCC4=C2C=CC/N=C\C4CC1N3
InChIInChI=1S/C15H18N2/c1-9-14-7-10-8-16-6-2-3-12-11(10)4-5-13(17-14)15(9)12/h2-3,8-10,14,17H,4-7H2,1H3/b3-2?,16-8-
InChIKeyLPXWSWDTLVOELO-BTMIGQEESA-N
MW226.32 g/mol
LogP2.60
Rot. Bonds

About 2-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene

2-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene (PubChem CID 163750965) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene.

Molecular Properties

Compound Name2-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
PubChem CID163750965
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name2-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
SMILESCC1C2=C3CCC4=C2C=CC/N=C\C4CC1N3
InChIInChI=1S/C15H18N2/c1-9-14-7-10-8-16-6-2-3-12-11(10)4-5-13(17-14)15(9)12/h2-3,8-10,14,17H,4-7H2,1H3/b3-2?,16-8-
InChIKeyLPXWSWDTLVOELO-BTMIGQEESA-N
XLogP2.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene?
The IUPAC name of 2-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene (CID 163750965) is 2-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene.
What is the SMILES notation for 2-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene?
The canonical SMILES for 2-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene is CC1C2=C3CCC4=C2C=CC/N=C\C4CC1N3.
What is the InChIKey of 2-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene?
The InChIKey is LPXWSWDTLVOELO-BTMIGQEESA-N. The full InChI is InChI=1S/C15H18N2/c1-9-14-7-10-8-16-6-2-3-12-11(10)4-5-13(17-14)15(9)12/h2-3,8-10,14,17H,4-7H2,1H3/b3-2?,16-8-.
What are the key properties of 2-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene?
2-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene has a molecular weight of 226.32 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene is sourced from PubChem (CID 163750965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).