6,7,8-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene

C15H21N — CID 21029067

IUPAC6,7,8-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene
SMILESCc1c(C)c2c3c(c1C)CCCN3CCC2
InChIInChI=1S/C15H21N/c1-10-11(2)13-6-4-8-16-9-5-7-14(12(10)3)15(13)16/h4-9H2,1-3H3
InChIKeyARQUTLVSDCBICO-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.31
Rot. Bonds

About 6,7,8-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene

6,7,8-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene (PubChem CID 21029067) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 6,7,8-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene.

Molecular Properties

Compound Name6,7,8-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene
PubChem CID21029067
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name6,7,8-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene
SMILESCc1c(C)c2c3c(c1C)CCCN3CCC2
InChIInChI=1S/C15H21N/c1-10-11(2)13-6-4-8-16-9-5-7-14(12(10)3)15(13)16/h4-9H2,1-3H3
InChIKeyARQUTLVSDCBICO-UHFFFAOYSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,7,8-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene?
The IUPAC name of 6,7,8-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene (CID 21029067) is 6,7,8-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene.
What is the SMILES notation for 6,7,8-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene?
The canonical SMILES for 6,7,8-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene is Cc1c(C)c2c3c(c1C)CCCN3CCC2.
What is the InChIKey of 6,7,8-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene?
The InChIKey is ARQUTLVSDCBICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-10-11(2)13-6-4-8-16-9-5-7-14(12(10)3)15(13)16/h4-9H2,1-3H3.
What are the key properties of 6,7,8-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene?
6,7,8-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene has a molecular weight of 215.34 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene is sourced from PubChem (CID 21029067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).