9,10-dimethyl-1,11-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,5,7,12-tetraene

C15H18N2 — CID 163699699

IUPAC9,10-dimethyl-1,11-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,5,7,12-tetraene
SMILESCC1C2=CC=CC3C=CN4C=CN(C1C)C4C23
InChIInChI=1S/C15H18N2/c1-10-11(2)17-9-8-16-7-6-12-4-3-5-13(10)14(12)15(16)17/h3-12,14-15H,1-2H3
InChIKeyJZXUWXPWKYLJFH-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.70
Rot. Bonds

About 9,10-dimethyl-1,11-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,5,7,12-tetraene

9,10-dimethyl-1,11-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,5,7,12-tetraene (PubChem CID 163699699) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 9,10-dimethyl-1,11-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,5,7,12-tetraene.

Molecular Properties

Compound Name9,10-dimethyl-1,11-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,5,7,12-tetraene
PubChem CID163699699
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name9,10-dimethyl-1,11-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,5,7,12-tetraene
SMILESCC1C2=CC=CC3C=CN4C=CN(C1C)C4C23
InChIInChI=1S/C15H18N2/c1-10-11(2)17-9-8-16-7-6-12-4-3-5-13(10)14(12)15(16)17/h3-12,14-15H,1-2H3
InChIKeyJZXUWXPWKYLJFH-UHFFFAOYSA-N
XLogP2.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9,10-dimethyl-1,11-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,5,7,12-tetraene?
The IUPAC name of 9,10-dimethyl-1,11-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,5,7,12-tetraene (CID 163699699) is 9,10-dimethyl-1,11-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,5,7,12-tetraene.
What is the SMILES notation for 9,10-dimethyl-1,11-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,5,7,12-tetraene?
The canonical SMILES for 9,10-dimethyl-1,11-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,5,7,12-tetraene is CC1C2=CC=CC3C=CN4C=CN(C1C)C4C23.
What is the InChIKey of 9,10-dimethyl-1,11-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,5,7,12-tetraene?
The InChIKey is JZXUWXPWKYLJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-10-11(2)17-9-8-16-7-6-12-4-3-5-13(10)14(12)15(16)17/h3-12,14-15H,1-2H3.
What are the key properties of 9,10-dimethyl-1,11-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,5,7,12-tetraene?
9,10-dimethyl-1,11-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,5,7,12-tetraene has a molecular weight of 226.32 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethyl-1,11-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,5,7,12-tetraene is sourced from PubChem (CID 163699699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).