2-[(5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]propan-2-amine

C31H42N2OSi — CID 142426134

IUPAC2-[(5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]propan-2-amine
SMILESCC(C)(N)C1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(Cc2ccccc2)C1
InChIInChI=1S/C31H42N2OSi/c1-30(2,3)35(28-17-11-7-12-18-28,29-19-13-8-14-20-29)34-24-27-21-26(31(4,5)32)23-33(27)22-25-15-9-6-10-16-25/h6-20,26-27H,21-24,32H2,1-5H3/t26?,27-/m0/s1
InChIKeyKYIVVNSIXGIPJG-GEVKEYJPSA-N
MW486.78 g/mol
LogP5.19
Rot. Bonds8

About 2-[(5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]propan-2-amine

2-[(5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]propan-2-amine (PubChem CID 142426134) has the molecular formula C31H42N2OSi and a molecular weight of 486.78 g/mol. Its IUPAC name is 2-[(5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[(5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]propan-2-amine
PubChem CID142426134
Molecular FormulaC31H42N2OSi
Molecular Weight486.78 g/mol
Exact Mass486.31
IUPAC Name2-[(5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]propan-2-amine
SMILESCC(C)(N)C1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(Cc2ccccc2)C1
InChIInChI=1S/C31H42N2OSi/c1-30(2,3)35(28-17-11-7-12-18-28,29-19-13-8-14-20-29)34-24-27-21-26(31(4,5)32)23-33(27)22-25-15-9-6-10-16-25/h6-20,26-27H,21-24,32H2,1-5H3/t26?,27-/m0/s1
InChIKeyKYIVVNSIXGIPJG-GEVKEYJPSA-N
XLogP5.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.78
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]propan-2-amine with MolForge

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Related Compounds

(1-benzyl-4,4-dimethylpyrrolidin-3-yl)methoxy-tert-butyl-diphenylsilane
CID 68912098
[1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]methyl-methylcarbamic acid
CID 174147104
1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethylpiperidin-3-ol
CID 163246812
benzyl (1S,4S,6S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 59396023
[(4aS,7R,7aS)-1-benzyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridin-7-yl]methoxy-tert-butyl-diphenylsilane
CID 72722960
(2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carboxylic acid
CID 141362787
tert-butyl N-[[1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 170594522
tert-butyl (2S,4R)-4-amino-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 69332987
tert-butyl-[[(1R,2S,4R,5S)-4-chloro-3-oxabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane
CID 11101116
[(2R,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol
CID 57385481
tert-butyl (2S,4S)-4-(aminomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 140846318
3-[(3R,5R)-2-benzyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl]-1H-pyrimidine-2,4-dione
CID 134937707

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]propan-2-amine?
The IUPAC name of 2-[(5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]propan-2-amine (CID 142426134) is 2-[(5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]propan-2-amine.
What is the SMILES notation for 2-[(5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]propan-2-amine?
The canonical SMILES for 2-[(5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]propan-2-amine is CC(C)(N)C1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(Cc2ccccc2)C1.
What is the InChIKey of 2-[(5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]propan-2-amine?
The InChIKey is KYIVVNSIXGIPJG-GEVKEYJPSA-N. The full InChI is InChI=1S/C31H42N2OSi/c1-30(2,3)35(28-17-11-7-12-18-28,29-19-13-8-14-20-29)34-24-27-21-26(31(4,5)32)23-33(27)22-25-15-9-6-10-16-25/h6-20,26-27H,21-24,32H2,1-5H3/t26?,27-/m0/s1.
What are the key properties of 2-[(5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]propan-2-amine?
2-[(5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]propan-2-amine has a molecular weight of 486.78 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]propan-2-amine is sourced from PubChem (CID 142426134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).