(1R,15S)-15-(dimethylamino)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol

C18H27NO — CID 70637689

IUPAC(1R,15S)-15-(dimethylamino)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol
SMILESCN(C)[C@H]1C2CCCCC[C@]1(C)c1cc(O)ccc1C2
InChIInChI=1S/C18H27NO/c1-18-10-6-4-5-7-14(17(18)19(2)3)11-13-8-9-15(20)12-16(13)18/h8-9,12,14,17,20H,4-7,10-11H2,1-3H3/t14?,17-,18+/m0/s1
InChIKeyMHXNQFZFUFJRFR-CXRLMVSZSA-N
MW273.42 g/mol
LogP3.72
Rot. Bonds1

About (1R,15S)-15-(dimethylamino)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol

(1R,15S)-15-(dimethylamino)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol (PubChem CID 70637689) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is (1R,15S)-15-(dimethylamino)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol.

Molecular Properties

Compound Name(1R,15S)-15-(dimethylamino)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol
PubChem CID70637689
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name(1R,15S)-15-(dimethylamino)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol
SMILESCN(C)[C@H]1C2CCCCC[C@]1(C)c1cc(O)ccc1C2
InChIInChI=1S/C18H27NO/c1-18-10-6-4-5-7-14(17(18)19(2)3)11-13-8-9-15(20)12-16(13)18/h8-9,12,14,17,20H,4-7,10-11H2,1-3H3/t14?,17-,18+/m0/s1
InChIKeyMHXNQFZFUFJRFR-CXRLMVSZSA-N
XLogP3.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,15S)-15-(dimethylamino)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,9R,15R)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol;hydrochloride
CID 71577923
N-[(9R,13R)-4-hydroxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]-N-methylcyclohexanecarboxamide
CID 140641117
[(1R,9S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]methanol
CID 153437146
(1S,9S,15R)-15-amino-1-methyl-12-oxatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol
CID 139492274
15-amino-1,5-dimethyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol
CID 139492163
(1R,9S,14R)-1,11,14-trimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
CID 6602207
(2aR,8bR)-8b-methyl-3-[methyl(3-methylbut-2-enyl)amino]-2,2a,3,4-tetrahydro-1H-cyclobuta[a]naphthalen-7-ol
CID 155072750
(1S,9R,14R)-1,10,14-trimethyl-10-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
CID 5493062
3-[[(1R,9S,13R)-4-hydroxy-1,10-dimethyl-13-tricyclo[7.3.1.02,7]trideca-2(7),3,5-trienyl]-methylcarbamoyl]benzoic acid
CID 134592595
(1R,9R,13R)-1,10-dimethyl-13-[methyl-[(1-methylsulfonylpiperidin-4-yl)methyl]amino]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 118507292
(1R,9R,13R)-13-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl-methylamino]-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 118507247
(1R,9R,10R)-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
CID 59745526

Frequently Asked Questions

What is the IUPAC name of (1R,15S)-15-(dimethylamino)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol?
The IUPAC name of (1R,15S)-15-(dimethylamino)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol (CID 70637689) is (1R,15S)-15-(dimethylamino)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol.
What is the SMILES notation for (1R,15S)-15-(dimethylamino)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol?
The canonical SMILES for (1R,15S)-15-(dimethylamino)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol is CN(C)[C@H]1C2CCCCC[C@]1(C)c1cc(O)ccc1C2.
What is the InChIKey of (1R,15S)-15-(dimethylamino)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol?
The InChIKey is MHXNQFZFUFJRFR-CXRLMVSZSA-N. The full InChI is InChI=1S/C18H27NO/c1-18-10-6-4-5-7-14(17(18)19(2)3)11-13-8-9-15(20)12-16(13)18/h8-9,12,14,17,20H,4-7,10-11H2,1-3H3/t14?,17-,18+/m0/s1.
What are the key properties of (1R,15S)-15-(dimethylamino)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol?
(1R,15S)-15-(dimethylamino)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol has a molecular weight of 273.42 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,15S)-15-(dimethylamino)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol is sourced from PubChem (CID 70637689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).