1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-amine

C11H27NOSi — CID 53427177

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-amine
SMILESCC(C)C(N)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H27NOSi/c1-9(2)10(12)8-13-14(6,7)11(3,4)5/h9-10H,8,12H2,1-7H3
InChIKeyWKEKXCCVQKMDFF-UHFFFAOYSA-N
MW217.43 g/mol
LogP2.99
Rot. Bonds4

About 1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-amine

1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-amine (PubChem CID 53427177) has the molecular formula C11H27NOSi and a molecular weight of 217.43 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-amine
PubChem CID53427177
Molecular FormulaC11H27NOSi
Molecular Weight217.43 g/mol
Exact Mass217.19
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-amine
SMILESCC(C)C(N)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H27NOSi/c1-9(2)10(12)8-13-14(6,7)11(3,4)5/h9-10H,8,12H2,1-7H3
InChIKeyWKEKXCCVQKMDFF-UHFFFAOYSA-N
XLogP2.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-amine;hydrochloride
CID 50999200
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
tert-butyl-[(2S)-2-fluoropropoxy]-dimethylsilane
CID 141238974
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
CID 101238862
tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116
(3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,3-diamine
CID 87682388
tert-butyl-[2-(iodomethyl)-3-methylbutoxy]-dimethylsilane
CID 177309340
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 87766399
[2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-tert-butyl-dimethylsilane
CID 125380572
(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutan-2-amine
CID 10786574
tert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 132916594

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-amine?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-amine (CID 53427177) is 1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-amine.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-amine?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-amine is CC(C)C(N)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-amine?
The InChIKey is WKEKXCCVQKMDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27NOSi/c1-9(2)10(12)8-13-14(6,7)11(3,4)5/h9-10H,8,12H2,1-7H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-amine?
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-amine has a molecular weight of 217.43 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-amine is sourced from PubChem (CID 53427177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).