trimethyl-[2-[[12-(2-methylcyclohexyl)-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane

C22H33N3OSi — CID 58115017

IUPACtrimethyl-[2-[[12-(2-methylcyclohexyl)-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane
SMILESCC1CCCCC1c1ccc2cnc3c(ccn3COCC[Si](C)(C)C)n12
InChIInChI=1S/C22H33N3OSi/c1-17-7-5-6-8-19(17)20-10-9-18-15-23-22-21(25(18)20)11-12-24(22)16-26-13-14-27(2,3)4/h9-12,15,17,19H,5-8,13-14,16H2,1-4H3
InChIKeyBLLBXMOPCRFOFR-UHFFFAOYSA-N
MW383.61 g/mol
LogP5.89
Rot. Bonds6

About trimethyl-[2-[[12-(2-methylcyclohexyl)-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane

trimethyl-[2-[[12-(2-methylcyclohexyl)-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane (PubChem CID 58115017) has the molecular formula C22H33N3OSi and a molecular weight of 383.61 g/mol. Its IUPAC name is trimethyl-[2-[[12-(2-methylcyclohexyl)-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[12-(2-methylcyclohexyl)-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane
PubChem CID58115017
Molecular FormulaC22H33N3OSi
Molecular Weight383.61 g/mol
Exact Mass383.24
IUPAC Nametrimethyl-[2-[[12-(2-methylcyclohexyl)-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane
SMILESCC1CCCCC1c1ccc2cnc3c(ccn3COCC[Si](C)(C)C)n12
InChIInChI=1S/C22H33N3OSi/c1-17-7-5-6-8-19(17)20-10-9-18-15-23-22-21(25(18)20)11-12-24(22)16-26-13-14-27(2,3)4/h9-12,15,17,19H,5-8,13-14,16H2,1-4H3
InChIKeyBLLBXMOPCRFOFR-UHFFFAOYSA-N
XLogP5.89
TPSA31.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.61
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze trimethyl-[2-[[12-(2-methylcyclohexyl)-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane 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

cis-(3R,4S)-3-methyl-4-[5-(2-trimethylsilylethoxymethyl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentan-1-one
CID 86678481
(E)-3-[(1S,3R,4S)-3-methyl-4-[5-(2-trimethylsilylethoxymethyl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]prop-2-enenitrile
CID 89439353
13-cyclohexyl-11-methyl-5-(2-trimethylsilylethoxymethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one
CID 90335875
N-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine
CID 141355610
trimethyl-[2-(pyrrolo[2,3-d]pyrimidin-7-ylmethoxy)ethyl]silane
CID 58172492
4-chloro-N'-cyclooctyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbohydrazide
CID 59292010
7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 70983690
N-cyclohexyl-6-methyl-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine
CID 58177295
1-(piperidin-2-ylmethyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea;dihydrochloride
CID 67385466
1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 58243790
5-bromo-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 162477897
trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane
CID 59420154

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[12-(2-methylcyclohexyl)-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[12-(2-methylcyclohexyl)-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane (CID 58115017) is trimethyl-[2-[[12-(2-methylcyclohexyl)-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[12-(2-methylcyclohexyl)-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[12-(2-methylcyclohexyl)-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane is CC1CCCCC1c1ccc2cnc3c(ccn3COCC[Si](C)(C)C)n12.
What is the InChIKey of trimethyl-[2-[[12-(2-methylcyclohexyl)-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane?
The InChIKey is BLLBXMOPCRFOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3OSi/c1-17-7-5-6-8-19(17)20-10-9-18-15-23-22-21(25(18)20)11-12-24(22)16-26-13-14-27(2,3)4/h9-12,15,17,19H,5-8,13-14,16H2,1-4H3.
What are the key properties of trimethyl-[2-[[12-(2-methylcyclohexyl)-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane?
trimethyl-[2-[[12-(2-methylcyclohexyl)-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane has a molecular weight of 383.61 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[12-(2-methylcyclohexyl)-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane is sourced from PubChem (CID 58115017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).