trimethyl-[[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]oxy]silane

C20H31NOSi — CID 57362227

IUPACtrimethyl-[[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]oxy]silane
SMILESCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O[Si](C)(C)C)cc13
InChIInChI=1S/C20H31NOSi/c1-21-12-11-20-10-6-5-7-17(20)19(21)13-15-8-9-16(14-18(15)20)22-23(2,3)4/h8-9,14,17,19H,5-7,10-13H2,1-4H3/t17-,19+,20+/m0/s1
InChIKeySMNMCZXTILNDLC-DFQSSKMNSA-N
MW329.56 g/mol
LogP4.59
Rot. Bonds2

About trimethyl-[[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]oxy]silane

trimethyl-[[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]oxy]silane (PubChem CID 57362227) has the molecular formula C20H31NOSi and a molecular weight of 329.56 g/mol. Its IUPAC name is trimethyl-[[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]oxy]silane.

Molecular Properties

Compound Nametrimethyl-[[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]oxy]silane
PubChem CID57362227
Molecular FormulaC20H31NOSi
Molecular Weight329.56 g/mol
Exact Mass329.22
IUPAC Nametrimethyl-[[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]oxy]silane
SMILESCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O[Si](C)(C)C)cc13
InChIInChI=1S/C20H31NOSi/c1-21-12-11-20-10-6-5-7-17(20)19(21)13-15-8-9-16(14-18(15)20)22-23(2,3)4/h8-9,14,17,19H,5-7,10-13H2,1-4H3/t17-,19+,20+/m0/s1
InChIKeySMNMCZXTILNDLC-DFQSSKMNSA-N
XLogP4.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.56
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 3008
(1R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrobromide
CID 44537559
(1R,9R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrochloride
CID 163369553
(1R,9R,10S)-17-methyl-4-propan-2-yloxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 15978502
(1R,9R,10R)-17-methyl-4-(trifluoromethoxy)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 121267590
CID 156874487
CID 156874487
(1S,9R)-4-butoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 21458229
17-methyl-4-prop-2-enoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 23308363
(1S,10R)-4-(1,1-dideuterioethoxy)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 88572586
(1R,9R,10R)-4-(cyclopropylmethoxy)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrobromide
CID 24848690
4,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 3079
(1R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine
CID 23315065

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]oxy]silane?
The IUPAC name of trimethyl-[[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]oxy]silane (CID 57362227) is trimethyl-[[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]oxy]silane.
What is the SMILES notation for trimethyl-[[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]oxy]silane?
The canonical SMILES for trimethyl-[[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]oxy]silane is CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O[Si](C)(C)C)cc13.
What is the InChIKey of trimethyl-[[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]oxy]silane?
The InChIKey is SMNMCZXTILNDLC-DFQSSKMNSA-N. The full InChI is InChI=1S/C20H31NOSi/c1-21-12-11-20-10-6-5-7-17(20)19(21)13-15-8-9-16(14-18(15)20)22-23(2,3)4/h8-9,14,17,19H,5-7,10-13H2,1-4H3/t17-,19+,20+/m0/s1.
What are the key properties of trimethyl-[[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]oxy]silane?
trimethyl-[[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]oxy]silane has a molecular weight of 329.56 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]oxy]silane is sourced from PubChem (CID 57362227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).