(1R,4R,5R,6S,7R,8R)-5-methyl-10-methylidene-7-(trimethylsilylmethyl)-12-azatricyclo[6.3.1.04,12]dodecan-6-ol

C17H31NOSi — CID 71473171

IUPAC(1R,4R,5R,6S,7R,8R)-5-methyl-10-methylidene-7-(trimethylsilylmethyl)-12-azatricyclo[6.3.1.04,12]dodecan-6-ol
SMILESC=C1C[C@H]2CC[C@@H]3[C@@H](C)[C@H](O)[C@H](C[Si](C)(C)C)[C@@H](C1)N23
InChIInChI=1S/C17H31NOSi/c1-11-8-13-6-7-15-12(2)17(19)14(10-20(3,4)5)16(9-11)18(13)15/h12-17,19H,1,6-10H2,2-5H3/t12-,13-,14-,15-,16-,17+/m1/s1
InChIKeyMNCOWALJJMGQQC-KWRZAIAESA-N
MW293.53 g/mol
LogP3.50
Rot. Bonds2

About (1R,4R,5R,6S,7R,8R)-5-methyl-10-methylidene-7-(trimethylsilylmethyl)-12-azatricyclo[6.3.1.04,12]dodecan-6-ol

(1R,4R,5R,6S,7R,8R)-5-methyl-10-methylidene-7-(trimethylsilylmethyl)-12-azatricyclo[6.3.1.04,12]dodecan-6-ol (PubChem CID 71473171) has the molecular formula C17H31NOSi and a molecular weight of 293.53 g/mol. Its IUPAC name is (1R,4R,5R,6S,7R,8R)-5-methyl-10-methylidene-7-(trimethylsilylmethyl)-12-azatricyclo[6.3.1.04,12]dodecan-6-ol.

Molecular Properties

Compound Name(1R,4R,5R,6S,7R,8R)-5-methyl-10-methylidene-7-(trimethylsilylmethyl)-12-azatricyclo[6.3.1.04,12]dodecan-6-ol
PubChem CID71473171
Molecular FormulaC17H31NOSi
Molecular Weight293.53 g/mol
Exact Mass293.22
IUPAC Name(1R,4R,5R,6S,7R,8R)-5-methyl-10-methylidene-7-(trimethylsilylmethyl)-12-azatricyclo[6.3.1.04,12]dodecan-6-ol
SMILESC=C1C[C@H]2CC[C@@H]3[C@@H](C)[C@H](O)[C@H](C[Si](C)(C)C)[C@@H](C1)N23
InChIInChI=1S/C17H31NOSi/c1-11-8-13-6-7-15-12(2)17(19)14(10-20(3,4)5)16(9-11)18(13)15/h12-17,19H,1,6-10H2,2-5H3/t12-,13-,14-,15-,16-,17+/m1/s1
InChIKeyMNCOWALJJMGQQC-KWRZAIAESA-N
XLogP3.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.53
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,4R,5R,6S,7R,8R)-5-methyl-10-methylidene-7-(trimethylsilylmethyl)-12-azatricyclo[6.3.1.04,12]dodecan-6-ol with MolForge

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Related Compounds

5-Methyl-10-methylidene-7-(trimethylsilylmethyl)-12-azatricyclo[6.3.1.04,12]dodecan-6-ol
CID 78079576
5,7-Dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecan-6-ol
CID 134946469

Frequently Asked Questions

What is the IUPAC name of (1R,4R,5R,6S,7R,8R)-5-methyl-10-methylidene-7-(trimethylsilylmethyl)-12-azatricyclo[6.3.1.04,12]dodecan-6-ol?
The IUPAC name of (1R,4R,5R,6S,7R,8R)-5-methyl-10-methylidene-7-(trimethylsilylmethyl)-12-azatricyclo[6.3.1.04,12]dodecan-6-ol (CID 71473171) is (1R,4R,5R,6S,7R,8R)-5-methyl-10-methylidene-7-(trimethylsilylmethyl)-12-azatricyclo[6.3.1.04,12]dodecan-6-ol.
What is the SMILES notation for (1R,4R,5R,6S,7R,8R)-5-methyl-10-methylidene-7-(trimethylsilylmethyl)-12-azatricyclo[6.3.1.04,12]dodecan-6-ol?
The canonical SMILES for (1R,4R,5R,6S,7R,8R)-5-methyl-10-methylidene-7-(trimethylsilylmethyl)-12-azatricyclo[6.3.1.04,12]dodecan-6-ol is C=C1C[C@H]2CC[C@@H]3[C@@H](C)[C@H](O)[C@H](C[Si](C)(C)C)[C@@H](C1)N23.
What is the InChIKey of (1R,4R,5R,6S,7R,8R)-5-methyl-10-methylidene-7-(trimethylsilylmethyl)-12-azatricyclo[6.3.1.04,12]dodecan-6-ol?
The InChIKey is MNCOWALJJMGQQC-KWRZAIAESA-N. The full InChI is InChI=1S/C17H31NOSi/c1-11-8-13-6-7-15-12(2)17(19)14(10-20(3,4)5)16(9-11)18(13)15/h12-17,19H,1,6-10H2,2-5H3/t12-,13-,14-,15-,16-,17+/m1/s1.
What are the key properties of (1R,4R,5R,6S,7R,8R)-5-methyl-10-methylidene-7-(trimethylsilylmethyl)-12-azatricyclo[6.3.1.04,12]dodecan-6-ol?
(1R,4R,5R,6S,7R,8R)-5-methyl-10-methylidene-7-(trimethylsilylmethyl)-12-azatricyclo[6.3.1.04,12]dodecan-6-ol has a molecular weight of 293.53 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5R,6S,7R,8R)-5-methyl-10-methylidene-7-(trimethylsilylmethyl)-12-azatricyclo[6.3.1.04,12]dodecan-6-ol is sourced from PubChem (CID 71473171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).