tert-butyl 1-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]methylamino]cyclopropane-1-carboxylate

C21H36N2O3Si — CID 139987574

IUPACtert-butyl 1-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]methylamino]cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(NCc2cc(CO[Si](C)(C)C(C)(C)C)ccn2)CC1
InChIInChI=1S/C21H36N2O3Si/c1-19(2,3)26-18(24)21(10-11-21)23-14-17-13-16(9-12-22-17)15-25-27(7,8)20(4,5)6/h9,12-13,23H,10-11,14-15H2,1-8H3
InChIKeyOZSBXKSIHKRWBG-UHFFFAOYSA-N
MW392.62 g/mol
LogP4.57
Rot. Bonds7

About tert-butyl 1-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]methylamino]cyclopropane-1-carboxylate

tert-butyl 1-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]methylamino]cyclopropane-1-carboxylate (PubChem CID 139987574) has the molecular formula C21H36N2O3Si and a molecular weight of 392.62 g/mol. Its IUPAC name is tert-butyl 1-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]methylamino]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]methylamino]cyclopropane-1-carboxylate
PubChem CID139987574
Molecular FormulaC21H36N2O3Si
Molecular Weight392.62 g/mol
Exact Mass392.25
IUPAC Nametert-butyl 1-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]methylamino]cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(NCc2cc(CO[Si](C)(C)C(C)(C)C)ccn2)CC1
InChIInChI=1S/C21H36N2O3Si/c1-19(2,3)26-18(24)21(10-11-21)23-14-17-13-16(9-12-22-17)15-25-27(7,8)20(4,5)6/h9,12-13,23H,10-11,14-15H2,1-8H3
InChIKeyOZSBXKSIHKRWBG-UHFFFAOYSA-N
XLogP4.57
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.62
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]methylamino]cyclopropane-1-carboxylate?
The IUPAC name of tert-butyl 1-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]methylamino]cyclopropane-1-carboxylate (CID 139987574) is tert-butyl 1-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]methylamino]cyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl 1-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]methylamino]cyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl 1-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]methylamino]cyclopropane-1-carboxylate is CC(C)(C)OC(=O)C1(NCc2cc(CO[Si](C)(C)C(C)(C)C)ccn2)CC1.
What is the InChIKey of tert-butyl 1-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]methylamino]cyclopropane-1-carboxylate?
The InChIKey is OZSBXKSIHKRWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O3Si/c1-19(2,3)26-18(24)21(10-11-21)23-14-17-13-16(9-12-22-17)15-25-27(7,8)20(4,5)6/h9,12-13,23H,10-11,14-15H2,1-8H3.
What are the key properties of tert-butyl 1-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]methylamino]cyclopropane-1-carboxylate?
tert-butyl 1-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]methylamino]cyclopropane-1-carboxylate has a molecular weight of 392.62 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]methylamino]cyclopropane-1-carboxylate is sourced from PubChem (CID 139987574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).