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

C15H22BrNO — CID 3048336

IUPAC(1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol;hydrobromide
SMILESBr.CN1CC[C@@]2(C)c3ccccc3C[C@H]1[C@@]2(C)O
InChIInChI=1S/C15H21NO.BrH/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;1H/t13-,14-,15+;/m0./s1
InChIKeyUJSSSDSBUSHHIL-UEHWSTJSSA-N
MW312.25 g/mol
LogP2.53
Rot. Bonds

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

(1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol;hydrobromide (PubChem CID 3048336) has the molecular formula C15H22BrNO and a molecular weight of 312.25 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;hydrobromide.

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;hydrobromide
PubChem CID3048336
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name(1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol;hydrobromide
SMILESBr.CN1CC[C@@]2(C)c3ccccc3C[C@H]1[C@@]2(C)O
InChIInChI=1S/C15H21NO.BrH/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;1H/t13-,14-,15+;/m0./s1
InChIKeyUJSSSDSBUSHHIL-UEHWSTJSSA-N
XLogP2.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

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CID 13145934
2,6-Methano-3-benzazocin-11-beta-ol, 1,2,3,4,5,6-hexahydro-3,6-dimethyl-, acetate (ester), hydrobromide
CID 3047966
2,6-Methano-3-benzazocin-11-beta-ol, 1,2,3,4,5,6-hexahydro-3,6-dimethyl-, hydrobromide
CID 3048033
6-Ethyl-3,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine-8,11-diol--hydrogen bromide (1/1)
CID 3048318
3,6,11-Trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine-8,11-diol--hydrogen bromide (1/1)
CID 3048322
2,6-Methano-3-benzazocin-1-ol, 1,2,3,4,5,6-hexahydro-3,6-dimethyl-, hydrochloride (1:1)
CID 3057349
2,6-Methano-3-benzazocine, 1,2,3,4,5,6-hexahydro-3,6-dimethyl-1-hydroxy-
CID 3057350
(1R,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4,13-diol
CID 90679094
(1R,13R)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4,13-diol
CID 90679099
(1R,13R)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol
CID 90679261
(1R,13R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol
CID 90679263
(1R,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol
CID 90679266

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;hydrobromide?
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;hydrobromide (CID 3048336) is (1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol;hydrobromide.
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;hydrobromide?
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;hydrobromide is Br.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;hydrobromide?
The InChIKey is UJSSSDSBUSHHIL-UEHWSTJSSA-N. The full InChI is InChI=1S/C15H21NO.BrH/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;1H/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;hydrobromide?
(1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol;hydrobromide has a molecular weight of 312.25 g/mol, XLogP of 2.53, 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;hydrobromide is sourced from PubChem (CID 3048336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).