6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrochloride

C13H18ClN — CID 3063560

IUPAC6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrochloride
SMILESCc1ccc2c3c1CCCN3CCC2.Cl
InChIInChI=1S/C13H17N.ClH/c1-10-6-7-11-4-2-8-14-9-3-5-12(10)13(11)14;/h6-7H,2-5,8-9H2,1H3;1H
InChIKeyDCMRGBSVWSMSQZ-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.12
Rot. Bonds

About 6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrochloride

6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrochloride (PubChem CID 3063560) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrochloride.

Molecular Properties

Compound Name6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrochloride
PubChem CID3063560
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrochloride
SMILESCc1ccc2c3c1CCCN3CCC2.Cl
InChIInChI=1S/C13H17N.ClH/c1-10-6-7-11-4-2-8-14-9-3-5-12(10)13(11)14;/h6-7H,2-5,8-9H2,1H3;1H
InChIKeyDCMRGBSVWSMSQZ-UHFFFAOYSA-N
XLogP3.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrochloride?
The IUPAC name of 6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrochloride (CID 3063560) is 6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrochloride.
What is the SMILES notation for 6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrochloride?
The canonical SMILES for 6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrochloride is Cc1ccc2c3c1CCCN3CCC2.Cl.
What is the InChIKey of 6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrochloride?
The InChIKey is DCMRGBSVWSMSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.ClH/c1-10-6-7-11-4-2-8-14-9-3-5-12(10)13(11)14;/h6-7H,2-5,8-9H2,1H3;1H.
What are the key properties of 6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrochloride?
6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrochloride has a molecular weight of 223.75 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrochloride is sourced from PubChem (CID 3063560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).