tert-butyl-dimethyl-pyrrolidin-3-ylsilane;3-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-2-phenylpropan-1-amine

C29H57N3OSi2 — CID 67665917

IUPACtert-butyl-dimethyl-pyrrolidin-3-ylsilane;3-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-2-phenylpropan-1-amine
SMILESCC(C)(C)[Si](C)(C)C1CCNC1.CC(C)(C)[Si](C)(C)OC1CCN(CC(CN)c2ccccc2)C1
InChIInChI=1S/C19H34N2OSi.C10H23NSi/c1-19(2,3)23(4,5)22-18-11-12-21(15-18)14-17(13-20)16-9-7-6-8-10-16;1-10(2,3)12(4,5)9-6-7-11-8-9/h6-10,17-18H,11-15,20H2,1-5H3;9,11H,6-8H2,1-5H3
InChIKeyIUGAHJHEUAAGOZ-UHFFFAOYSA-N
MW519.97 g/mol
LogP6.68
Rot. Bonds7

About tert-butyl-dimethyl-pyrrolidin-3-ylsilane;3-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-2-phenylpropan-1-amine

tert-butyl-dimethyl-pyrrolidin-3-ylsilane;3-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-2-phenylpropan-1-amine (PubChem CID 67665917) has the molecular formula C29H57N3OSi2 and a molecular weight of 519.97 g/mol. Its IUPAC name is tert-butyl-dimethyl-pyrrolidin-3-ylsilane;3-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-2-phenylpropan-1-amine.

Molecular Properties

Compound Nametert-butyl-dimethyl-pyrrolidin-3-ylsilane;3-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-2-phenylpropan-1-amine
PubChem CID67665917
Molecular FormulaC29H57N3OSi2
Molecular Weight519.97 g/mol
Exact Mass519.40
IUPAC Nametert-butyl-dimethyl-pyrrolidin-3-ylsilane;3-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-2-phenylpropan-1-amine
SMILESCC(C)(C)[Si](C)(C)C1CCNC1.CC(C)(C)[Si](C)(C)OC1CCN(CC(CN)c2ccccc2)C1
InChIInChI=1S/C19H34N2OSi.C10H23NSi/c1-19(2,3)23(4,5)22-18-11-12-21(15-18)14-17(13-20)16-9-7-6-8-10-16;1-10(2,3)12(4,5)9-6-7-11-8-9/h6-10,17-18H,11-15,20H2,1-5H3;9,11H,6-8H2,1-5H3
InChIKeyIUGAHJHEUAAGOZ-UHFFFAOYSA-N
XLogP6.68
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.97
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 tert-butyl-dimethyl-pyrrolidin-3-ylsilane;3-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-2-phenylpropan-1-amine?
The IUPAC name of tert-butyl-dimethyl-pyrrolidin-3-ylsilane;3-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-2-phenylpropan-1-amine (CID 67665917) is tert-butyl-dimethyl-pyrrolidin-3-ylsilane;3-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-2-phenylpropan-1-amine.
What is the SMILES notation for tert-butyl-dimethyl-pyrrolidin-3-ylsilane;3-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-2-phenylpropan-1-amine?
The canonical SMILES for tert-butyl-dimethyl-pyrrolidin-3-ylsilane;3-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-2-phenylpropan-1-amine is CC(C)(C)[Si](C)(C)C1CCNC1.CC(C)(C)[Si](C)(C)OC1CCN(CC(CN)c2ccccc2)C1.
What is the InChIKey of tert-butyl-dimethyl-pyrrolidin-3-ylsilane;3-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-2-phenylpropan-1-amine?
The InChIKey is IUGAHJHEUAAGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2OSi.C10H23NSi/c1-19(2,3)23(4,5)22-18-11-12-21(15-18)14-17(13-20)16-9-7-6-8-10-16;1-10(2,3)12(4,5)9-6-7-11-8-9/h6-10,17-18H,11-15,20H2,1-5H3;9,11H,6-8H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-pyrrolidin-3-ylsilane;3-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-2-phenylpropan-1-amine?
tert-butyl-dimethyl-pyrrolidin-3-ylsilane;3-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-2-phenylpropan-1-amine has a molecular weight of 519.97 g/mol, XLogP of 6.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-pyrrolidin-3-ylsilane;3-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-2-phenylpropan-1-amine is sourced from PubChem (CID 67665917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).