(1R,2R,7R,9S,12S)-12-methyl-6-azatricyclo[7.2.1.02,7]dodecan-1-ol

C12H21NO — CID 102158288

IUPAC(1R,2R,7R,9S,12S)-12-methyl-6-azatricyclo[7.2.1.02,7]dodecan-1-ol
SMILESC[C@H]1[C@H]2CC[C@]1(O)[C@@H]1CCCN[C@@H]1C2
InChIInChI=1S/C12H21NO/c1-8-9-4-5-12(8,14)10-3-2-6-13-11(10)7-9/h8-11,13-14H,2-7H2,1H3/t8-,9-,10+,11+,12+/m0/s1
InChIKeyMVTZYIKWUJIQBP-PREPNJAASA-N
MW195.31 g/mol
LogP1.54
Rot. Bonds

About (1R,2R,7R,9S,12S)-12-methyl-6-azatricyclo[7.2.1.02,7]dodecan-1-ol

(1R,2R,7R,9S,12S)-12-methyl-6-azatricyclo[7.2.1.02,7]dodecan-1-ol (PubChem CID 102158288) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (1R,2R,7R,9S,12S)-12-methyl-6-azatricyclo[7.2.1.02,7]dodecan-1-ol.

Molecular Properties

Compound Name(1R,2R,7R,9S,12S)-12-methyl-6-azatricyclo[7.2.1.02,7]dodecan-1-ol
PubChem CID102158288
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(1R,2R,7R,9S,12S)-12-methyl-6-azatricyclo[7.2.1.02,7]dodecan-1-ol
SMILESC[C@H]1[C@H]2CC[C@]1(O)[C@@H]1CCCN[C@@H]1C2
InChIInChI=1S/C12H21NO/c1-8-9-4-5-12(8,14)10-3-2-6-13-11(10)7-9/h8-11,13-14H,2-7H2,1H3/t8-,9-,10+,11+,12+/m0/s1
InChIKeyMVTZYIKWUJIQBP-PREPNJAASA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2R,7R,9S,12S)-12-methyl-6-azatricyclo[7.2.1.02,7]dodecan-1-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

(1S,2S,7S,9R)-6-azatricyclo[7.2.1.02,7]dodecan-1-ol
CID 130816097
(4aS,5R,8aS)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-ol
CID 130792375
2-(2,2-difluoro-3-methylcyclopropyl)pyrrolidine
CID 126845216
7,7-dimethyl-1,2,3,4,4a,5,6,8,9,9a-decahydrocyclohepta[b]pyridine
CID 143671086
2-azabicyclo[4.1.0]heptane;molecular hydrogen
CID 144713678
2-methylpyrrolidine
CID 13003
2-methylpyrrolidine
CID 142041388
(2S)-2-(2-methylcyclopropyl)pyrrolidine
CID 134335415
(2S)-2-methylazepan-4-ol
CID 155155267
1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride
CID 2969135
6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride
CID 155858923
(2S)-2-methylpiperidine;(2S)-2-methylpyrrolidine
CID 164977059

Frequently Asked Questions

What is the IUPAC name of (1R,2R,7R,9S,12S)-12-methyl-6-azatricyclo[7.2.1.02,7]dodecan-1-ol?
The IUPAC name of (1R,2R,7R,9S,12S)-12-methyl-6-azatricyclo[7.2.1.02,7]dodecan-1-ol (CID 102158288) is (1R,2R,7R,9S,12S)-12-methyl-6-azatricyclo[7.2.1.02,7]dodecan-1-ol.
What is the SMILES notation for (1R,2R,7R,9S,12S)-12-methyl-6-azatricyclo[7.2.1.02,7]dodecan-1-ol?
The canonical SMILES for (1R,2R,7R,9S,12S)-12-methyl-6-azatricyclo[7.2.1.02,7]dodecan-1-ol is C[C@H]1[C@H]2CC[C@]1(O)[C@@H]1CCCN[C@@H]1C2.
What is the InChIKey of (1R,2R,7R,9S,12S)-12-methyl-6-azatricyclo[7.2.1.02,7]dodecan-1-ol?
The InChIKey is MVTZYIKWUJIQBP-PREPNJAASA-N. The full InChI is InChI=1S/C12H21NO/c1-8-9-4-5-12(8,14)10-3-2-6-13-11(10)7-9/h8-11,13-14H,2-7H2,1H3/t8-,9-,10+,11+,12+/m0/s1.
What are the key properties of (1R,2R,7R,9S,12S)-12-methyl-6-azatricyclo[7.2.1.02,7]dodecan-1-ol?
(1R,2R,7R,9S,12S)-12-methyl-6-azatricyclo[7.2.1.02,7]dodecan-1-ol has a molecular weight of 195.31 g/mol, XLogP of 1.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,7R,9S,12S)-12-methyl-6-azatricyclo[7.2.1.02,7]dodecan-1-ol is sourced from PubChem (CID 102158288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).