[(9aR)-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane

C16H31NOSi — CID 101243050

IUPAC[(9aR)-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1=C[C@H]2CCCCN2CC1
InChIInChI=1S/C16H31NOSi/c1-16(2,3)19(4,5)18-13-14-9-11-17-10-7-6-8-15(17)12-14/h12,15H,6-11,13H2,1-5H3/t15-/m1/s1
InChIKeyJWLVPWVBTRAISR-OAHLLOKOSA-N
MW281.52 g/mol
LogP4.19
Rot. Bonds3

About [(9aR)-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane

[(9aR)-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 101243050) has the molecular formula C16H31NOSi and a molecular weight of 281.52 g/mol. Its IUPAC name is [(9aR)-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(9aR)-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID101243050
Molecular FormulaC16H31NOSi
Molecular Weight281.52 g/mol
Exact Mass281.22
IUPAC Name[(9aR)-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1=C[C@H]2CCCCN2CC1
InChIInChI=1S/C16H31NOSi/c1-16(2,3)19(4,5)18-13-14-9-11-17-10-7-6-8-15(17)12-14/h12,15H,6-11,13H2,1-5H3/t15-/m1/s1
InChIKeyJWLVPWVBTRAISR-OAHLLOKOSA-N
XLogP4.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.52
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(9aR)-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(9aR)-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane (CID 101243050) is [(9aR)-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(9aR)-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(9aR)-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1=C[C@H]2CCCCN2CC1.
What is the InChIKey of [(9aR)-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is JWLVPWVBTRAISR-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H31NOSi/c1-16(2,3)19(4,5)18-13-14-9-11-17-10-7-6-8-15(17)12-14/h12,15H,6-11,13H2,1-5H3/t15-/m1/s1.
What are the key properties of [(9aR)-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane?
[(9aR)-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 281.52 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(9aR)-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 101243050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).