1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanamine;hydrochloride

C13H19ClN2 — CID 24748026

IUPAC1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanamine;hydrochloride
SMILESCl.NCc1cc2c3c(c1)CCCN3CCC2
InChIInChI=1S/C13H18N2.ClH/c14-9-10-7-11-3-1-5-15-6-2-4-12(8-10)13(11)15;/h7-8H,1-6,9,14H2;1H
InChIKeyIVWMHUSEHPEKFE-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.27
Rot. Bonds1

About 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanamine;hydrochloride

1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanamine;hydrochloride (PubChem CID 24748026) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanamine;hydrochloride
PubChem CID24748026
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanamine;hydrochloride
SMILESCl.NCc1cc2c3c(c1)CCCN3CCC2
InChIInChI=1S/C13H18N2.ClH/c14-9-10-7-11-3-1-5-15-6-2-4-12(8-10)13(11)15;/h7-8H,1-6,9,14H2;1H
InChIKeyIVWMHUSEHPEKFE-UHFFFAOYSA-N
XLogP2.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanamine;hydrochloride with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanamine;hydrochloride?
The IUPAC name of 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanamine;hydrochloride (CID 24748026) is 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanamine;hydrochloride.
What is the SMILES notation for 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanamine;hydrochloride?
The canonical SMILES for 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanamine;hydrochloride is Cl.NCc1cc2c3c(c1)CCCN3CCC2.
What is the InChIKey of 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanamine;hydrochloride?
The InChIKey is IVWMHUSEHPEKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2.ClH/c14-9-10-7-11-3-1-5-15-6-2-4-12(8-10)13(11)15;/h7-8H,1-6,9,14H2;1H.
What are the key properties of 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanamine;hydrochloride?
1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanamine;hydrochloride has a molecular weight of 238.76 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanamine;hydrochloride is sourced from PubChem (CID 24748026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).