1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol;hydrochloride

C14H20ClNO — CID 3057349

IUPAC1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol;hydrochloride
SMILESCN1CCC2(C)CC1C(O)c1ccccc12.Cl
InChIInChI=1S/C14H19NO.ClH/c1-14-7-8-15(2)12(9-14)13(16)10-5-3-4-6-11(10)14;/h3-6,12-13,16H,7-9H2,1-2H3;1H
InChIKeyMKOVJRXSFPZGHU-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.51
Rot. Bonds

About 1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol;hydrochloride

1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol;hydrochloride (PubChem CID 3057349) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol;hydrochloride.

Molecular Properties

Compound Name1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol;hydrochloride
PubChem CID3057349
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol;hydrochloride
SMILESCN1CCC2(C)CC1C(O)c1ccccc12.Cl
InChIInChI=1S/C14H19NO.ClH/c1-14-7-8-15(2)12(9-14)13(16)10-5-3-4-6-11(10)14;/h3-6,12-13,16H,7-9H2,1-2H3;1H
InChIKeyMKOVJRXSFPZGHU-UHFFFAOYSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-trien-8-ol;hydrochloride?
The IUPAC name of 1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol;hydrochloride (CID 3057349) is 1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol;hydrochloride.
What is the SMILES notation for 1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol;hydrochloride?
The canonical SMILES for 1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol;hydrochloride is CN1CCC2(C)CC1C(O)c1ccccc12.Cl.
What is the InChIKey of 1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol;hydrochloride?
The InChIKey is MKOVJRXSFPZGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.ClH/c1-14-7-8-15(2)12(9-14)13(16)10-5-3-4-6-11(10)14;/h3-6,12-13,16H,7-9H2,1-2H3;1H.
What are the key properties of 1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol;hydrochloride?
1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-ol;hydrochloride has a molecular weight of 253.77 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 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-trien-8-ol;hydrochloride is sourced from PubChem (CID 3057349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).