(1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride

C15H22ClNO — CID 76961759

IUPAC(1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride
SMILESC[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C.Cl
InChIInChI=1S/C15H21NO.ClH/c1-10-14-8-11-4-5-12(17)9-13(11)15(10,2)6-7-16(14)3;/h4-5,9-10,14,17H,6-8H2,1-3H3;1H/t10-,14+,15+;/m1./s1
InChIKeyDBLLEECZAIUXDF-AJDHOEDFSA-N
MW267.80 g/mol
LogP2.97
Rot. Bonds

About (1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride

(1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride (PubChem CID 76961759) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is (1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride.

Molecular Properties

Compound Name(1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride
PubChem CID76961759
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name(1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride
SMILESC[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C.Cl
InChIInChI=1S/C15H21NO.ClH/c1-10-14-8-11-4-5-12(17)9-13(11)15(10,2)6-7-16(14)3;/h4-5,9-10,14,17H,6-8H2,1-3H3;1H/t10-,14+,15+;/m1./s1
InChIKeyDBLLEECZAIUXDF-AJDHOEDFSA-N
XLogP2.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride?
The IUPAC name of (1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride (CID 76961759) is (1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride.
What is the SMILES notation for (1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride?
The canonical SMILES for (1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride is C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C.Cl.
What is the InChIKey of (1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride?
The InChIKey is DBLLEECZAIUXDF-AJDHOEDFSA-N. The full InChI is InChI=1S/C15H21NO.ClH/c1-10-14-8-11-4-5-12(17)9-13(11)15(10,2)6-7-16(14)3;/h4-5,9-10,14,17H,6-8H2,1-3H3;1H/t10-,14+,15+;/m1./s1.
What are the key properties of (1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride?
(1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride has a molecular weight of 267.80 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride is sourced from PubChem (CID 76961759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).