(1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol

C15H21NO — CID 3048337

IUPAC(1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol
SMILESCN1CC[C@@]2(C)c3ccccc3C[C@H]1[C@@]2(C)O
InChIInChI=1S/C15H21NO/c1-14-8-9-16(3)13(15(14,2)17)10-11-6-4-5-7-12(11)14/h4-7,13,17H,8-10H2,1-3H3/t13-,14-,15+/m0/s1
InChIKeySSJHPSNXHBBMES-SOUVJXGZSA-N
MW231.34 g/mol
LogP1.96
Rot. Bonds

About (1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol

(1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol (PubChem CID 3048337) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol.

Molecular Properties

Compound Name(1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol
PubChem CID3048337
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol
SMILESCN1CC[C@@]2(C)c3ccccc3C[C@H]1[C@@]2(C)O
InChIInChI=1S/C15H21NO/c1-14-8-9-16(3)13(15(14,2)17)10-11-6-4-5-7-12(11)14/h4-7,13,17H,8-10H2,1-3H3/t13-,14-,15+/m0/s1
InChIKeySSJHPSNXHBBMES-SOUVJXGZSA-N
XLogP1.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.96
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-2,4,6-trien-13-ol?
The IUPAC name of (1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol (CID 3048337) is (1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol.
What is the SMILES notation for (1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol?
The canonical SMILES for (1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol is CN1CC[C@@]2(C)c3ccccc3C[C@H]1[C@@]2(C)O.
What is the InChIKey of (1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol?
The InChIKey is SSJHPSNXHBBMES-SOUVJXGZSA-N. The full InChI is InChI=1S/C15H21NO/c1-14-8-9-16(3)13(15(14,2)17)10-11-6-4-5-7-12(11)14/h4-7,13,17H,8-10H2,1-3H3/t13-,14-,15+/m0/s1.
What are the key properties of (1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol?
(1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol has a molecular weight of 231.34 g/mol, XLogP of 1.96, 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-2,4,6-trien-13-ol is sourced from PubChem (CID 3048337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).