1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6,8,11-pentaene

C14H15N — CID 54000116

IUPAC1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6,8,11-pentaene
SMILESCN1C=CC2(C)CC1=Cc1ccccc12
InChIInChI=1S/C14H15N/c1-14-7-8-15(2)12(10-14)9-11-5-3-4-6-13(11)14/h3-9H,10H2,1-2H3
InChIKeyKKYOARZKWXMEDD-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.15
Rot. Bonds

About 1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6,8,11-pentaene

1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6,8,11-pentaene (PubChem CID 54000116) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is 1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6,8,11-pentaene.

Molecular Properties

Compound Name1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6,8,11-pentaene
PubChem CID54000116
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6,8,11-pentaene
SMILESCN1C=CC2(C)CC1=Cc1ccccc12
InChIInChI=1S/C14H15N/c1-14-7-8-15(2)12(10-14)9-11-5-3-4-6-13(11)14/h3-9H,10H2,1-2H3
InChIKeyKKYOARZKWXMEDD-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6,8,11-pentaene?
The IUPAC name of 1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6,8,11-pentaene (CID 54000116) is 1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6,8,11-pentaene.
What is the SMILES notation for 1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6,8,11-pentaene?
The canonical SMILES for 1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6,8,11-pentaene is CN1C=CC2(C)CC1=Cc1ccccc12.
What is the InChIKey of 1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6,8,11-pentaene?
The InChIKey is KKYOARZKWXMEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c1-14-7-8-15(2)12(10-14)9-11-5-3-4-6-13(11)14/h3-9H,10H2,1-2H3.
What are the key properties of 1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6,8,11-pentaene?
1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6,8,11-pentaene has a molecular weight of 197.28 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6,8,11-pentaene is sourced from PubChem (CID 54000116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).