dimethyl-[(1R,2R)-2-methyl-1-phenyl-3-pyrrolidin-1-ylbutyl]-phenylsilane

C23H33NSi — CID 10428029

IUPACdimethyl-[(1R,2R)-2-methyl-1-phenyl-3-pyrrolidin-1-ylbutyl]-phenylsilane
SMILESCC([C@@H](C)[C@H](c1ccccc1)[Si](C)(C)c1ccccc1)N1CCCC1
InChIInChI=1S/C23H33NSi/c1-19(20(2)24-17-11-12-18-24)23(21-13-7-5-8-14-21)25(3,4)22-15-9-6-10-16-22/h5-10,13-16,19-20,23H,11-12,17-18H2,1-4H3/t19-,20?,23-/m1/s1
InChIKeyXLOJZFGPGOUXML-GGFVOEBESA-N
MW351.61 g/mol
LogP5.05
Rot. Bonds6

About dimethyl-[(1R,2R)-2-methyl-1-phenyl-3-pyrrolidin-1-ylbutyl]-phenylsilane

dimethyl-[(1R,2R)-2-methyl-1-phenyl-3-pyrrolidin-1-ylbutyl]-phenylsilane (PubChem CID 10428029) has the molecular formula C23H33NSi and a molecular weight of 351.61 g/mol. Its IUPAC name is dimethyl-[(1R,2R)-2-methyl-1-phenyl-3-pyrrolidin-1-ylbutyl]-phenylsilane.

Molecular Properties

Compound Namedimethyl-[(1R,2R)-2-methyl-1-phenyl-3-pyrrolidin-1-ylbutyl]-phenylsilane
PubChem CID10428029
Molecular FormulaC23H33NSi
Molecular Weight351.61 g/mol
Exact Mass351.24
IUPAC Namedimethyl-[(1R,2R)-2-methyl-1-phenyl-3-pyrrolidin-1-ylbutyl]-phenylsilane
SMILESCC([C@@H](C)[C@H](c1ccccc1)[Si](C)(C)c1ccccc1)N1CCCC1
InChIInChI=1S/C23H33NSi/c1-19(20(2)24-17-11-12-18-24)23(21-13-7-5-8-14-21)25(3,4)22-15-9-6-10-16-22/h5-10,13-16,19-20,23H,11-12,17-18H2,1-4H3/t19-,20?,23-/m1/s1
InChIKeyXLOJZFGPGOUXML-GGFVOEBESA-N
XLogP5.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.61
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[(1R,2R)-2-methyl-1-phenyl-3-pyrrolidin-1-ylbutyl]-phenylsilane?
The IUPAC name of dimethyl-[(1R,2R)-2-methyl-1-phenyl-3-pyrrolidin-1-ylbutyl]-phenylsilane (CID 10428029) is dimethyl-[(1R,2R)-2-methyl-1-phenyl-3-pyrrolidin-1-ylbutyl]-phenylsilane.
What is the SMILES notation for dimethyl-[(1R,2R)-2-methyl-1-phenyl-3-pyrrolidin-1-ylbutyl]-phenylsilane?
The canonical SMILES for dimethyl-[(1R,2R)-2-methyl-1-phenyl-3-pyrrolidin-1-ylbutyl]-phenylsilane is CC([C@@H](C)[C@H](c1ccccc1)[Si](C)(C)c1ccccc1)N1CCCC1.
What is the InChIKey of dimethyl-[(1R,2R)-2-methyl-1-phenyl-3-pyrrolidin-1-ylbutyl]-phenylsilane?
The InChIKey is XLOJZFGPGOUXML-GGFVOEBESA-N. The full InChI is InChI=1S/C23H33NSi/c1-19(20(2)24-17-11-12-18-24)23(21-13-7-5-8-14-21)25(3,4)22-15-9-6-10-16-22/h5-10,13-16,19-20,23H,11-12,17-18H2,1-4H3/t19-,20?,23-/m1/s1.
What are the key properties of dimethyl-[(1R,2R)-2-methyl-1-phenyl-3-pyrrolidin-1-ylbutyl]-phenylsilane?
dimethyl-[(1R,2R)-2-methyl-1-phenyl-3-pyrrolidin-1-ylbutyl]-phenylsilane has a molecular weight of 351.61 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(1R,2R)-2-methyl-1-phenyl-3-pyrrolidin-1-ylbutyl]-phenylsilane is sourced from PubChem (CID 10428029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).