(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-1-pyridin-2-ylbutan-2-amine

C16H30N2O2Si — CID 140879240

IUPAC(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-1-pyridin-2-ylbutan-2-amine
SMILESCOC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N)Cc1ccccn1
InChIInChI=1S/C16H30N2O2Si/c1-16(2,3)21(5,6)20-15(12-19-4)14(17)11-13-9-7-8-10-18-13/h7-10,14-15H,11-12,17H2,1-6H3/t14-,15-/m1/s1
InChIKeyZSCAKGFBSBRTQV-HUUCEWRRSA-N
MW310.51 g/mol
LogP2.99
Rot. Bonds7

About (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-1-pyridin-2-ylbutan-2-amine

(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-1-pyridin-2-ylbutan-2-amine (PubChem CID 140879240) has the molecular formula C16H30N2O2Si and a molecular weight of 310.51 g/mol. Its IUPAC name is (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-1-pyridin-2-ylbutan-2-amine.

Molecular Properties

Compound Name(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-1-pyridin-2-ylbutan-2-amine
PubChem CID140879240
Molecular FormulaC16H30N2O2Si
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC Name(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-1-pyridin-2-ylbutan-2-amine
SMILESCOC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N)Cc1ccccn1
InChIInChI=1S/C16H30N2O2Si/c1-16(2,3)21(5,6)20-15(12-19-4)14(17)11-13-9-7-8-10-18-13/h7-10,14-15H,11-12,17H2,1-6H3/t14-,15-/m1/s1
InChIKeyZSCAKGFBSBRTQV-HUUCEWRRSA-N
XLogP2.99
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-1-pyridin-2-ylbutan-2-amine with MolForge

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Related Compounds

3-ethoxy-1-pyridin-2-ylpentan-2-amine
CID 116716297
2-(2-chloro-4-methoxybutyl)pyridine
CID 66461980
2-(2-methoxy-3,3-dimethylbutyl)pyridine
CID 86130938
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
2-(2-chloro-3,3-dimethylbutyl)pyridine
CID 63203181
(3R)-3-amino-2,2-dimethyl-4-pyridin-2-ylbutan-1-ol
CID 135132625
3-phenyl-1-pyridin-2-ylpentan-2-amine
CID 104995303
1-(2-methoxyphenyl)-2-pyridin-2-ylethanamine
CID 43118872
3-cyclopropyl-1-pyridin-2-ylbutan-2-amine
CID 83155129
(2R)-2-amino-4,4-dimethyl-1-pyridin-2-ylpentan-3-one
CID 58458155
3,3-dimethyl-1-pyridin-2-ylbutan-2-ol
CID 62393585
2-methoxy-1-pyridin-2-ylethanamine;hydrochloride
CID 53398961

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-1-pyridin-2-ylbutan-2-amine?
The IUPAC name of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-1-pyridin-2-ylbutan-2-amine (CID 140879240) is (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-1-pyridin-2-ylbutan-2-amine.
What is the SMILES notation for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-1-pyridin-2-ylbutan-2-amine?
The canonical SMILES for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-1-pyridin-2-ylbutan-2-amine is COC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N)Cc1ccccn1.
What is the InChIKey of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-1-pyridin-2-ylbutan-2-amine?
The InChIKey is ZSCAKGFBSBRTQV-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H30N2O2Si/c1-16(2,3)21(5,6)20-15(12-19-4)14(17)11-13-9-7-8-10-18-13/h7-10,14-15H,11-12,17H2,1-6H3/t14-,15-/m1/s1.
What are the key properties of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-1-pyridin-2-ylbutan-2-amine?
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-1-pyridin-2-ylbutan-2-amine has a molecular weight of 310.51 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-1-pyridin-2-ylbutan-2-amine is sourced from PubChem (CID 140879240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).