8,12-dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,9(14),10,12-pentaene

C15H17N — CID 123935174

IUPAC8,12-dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,9(14),10,12-pentaene
SMILESCC1=CC2C=C(C=C1)N(C)C1=C2C=CCC1
InChIInChI=1S/C15H17N/c1-11-7-8-13-10-12(9-11)14-5-3-4-6-15(14)16(13)2/h3,5,7-10,12H,4,6H2,1-2H3
InChIKeyMPNZMJZRGPEEMP-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.55
Rot. Bonds

About 8,12-dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,9(14),10,12-pentaene

8,12-dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,9(14),10,12-pentaene (PubChem CID 123935174) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 8,12-dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,9(14),10,12-pentaene.

Molecular Properties

Compound Name8,12-dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,9(14),10,12-pentaene
PubChem CID123935174
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name8,12-dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,9(14),10,12-pentaene
SMILESCC1=CC2C=C(C=C1)N(C)C1=C2C=CCC1
InChIInChI=1S/C15H17N/c1-11-7-8-13-10-12(9-11)14-5-3-4-6-15(14)16(13)2/h3,5,7-10,12H,4,6H2,1-2H3
InChIKeyMPNZMJZRGPEEMP-UHFFFAOYSA-N
XLogP3.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8,12-dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,9(14),10,12-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8,12-dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,9(14),10,12-pentaene?
The IUPAC name of 8,12-dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,9(14),10,12-pentaene (CID 123935174) is 8,12-dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,9(14),10,12-pentaene.
What is the SMILES notation for 8,12-dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,9(14),10,12-pentaene?
The canonical SMILES for 8,12-dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,9(14),10,12-pentaene is CC1=CC2C=C(C=C1)N(C)C1=C2C=CCC1.
What is the InChIKey of 8,12-dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,9(14),10,12-pentaene?
The InChIKey is MPNZMJZRGPEEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-11-7-8-13-10-12(9-11)14-5-3-4-6-15(14)16(13)2/h3,5,7-10,12H,4,6H2,1-2H3.
What are the key properties of 8,12-dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,9(14),10,12-pentaene?
8,12-dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,9(14),10,12-pentaene has a molecular weight of 211.31 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,12-dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,9(14),10,12-pentaene is sourced from PubChem (CID 123935174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).