(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentan-3-amine

C13H31NOSi — CID 15632284

IUPAC(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentan-3-amine
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)C(C)(C)C
InChIInChI=1S/C13H31NOSi/c1-10(11(14)12(2,3)4)15-16(8,9)13(5,6)7/h10-11H,14H2,1-9H3/t10-,11+/m0/s1
InChIKeyFDDLDAOZXDKWHQ-WDEREUQCSA-N
MW245.48 g/mol
LogP3.77
Rot. Bonds3

About (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentan-3-amine

(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentan-3-amine (PubChem CID 15632284) has the molecular formula C13H31NOSi and a molecular weight of 245.48 g/mol. Its IUPAC name is (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentan-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentan-3-amine
PubChem CID15632284
Molecular FormulaC13H31NOSi
Molecular Weight245.48 g/mol
Exact Mass245.22
IUPAC Name(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentan-3-amine
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)C(C)(C)C
InChIInChI=1S/C13H31NOSi/c1-10(11(14)12(2,3)4)15-16(8,9)13(5,6)7/h10-11H,14H2,1-9H3/t10-,11+/m0/s1
InChIKeyFDDLDAOZXDKWHQ-WDEREUQCSA-N
XLogP3.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.48
LogP ≤ 53.77
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

3-[tert-butyl(dimethyl)silyl]oxybutan-2-amine
CID 19432382
methyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 10879449
(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyheptan-3-amine
CID 15632282
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
CID 24741474
2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(2-methoxyphenyl)butan-1-ol
CID 139745305
2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-amine
CID 134406960
1-[tert-butyl(dimethyl)silyl]oxyethanol
CID 22038232
tert-butyl-[(1S)-1-methoxyethoxy]-dimethylsilane
CID 153446307
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formylbutanamide
CID 141326729
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutan-1-ol
CID 10752078
(3R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol
CID 101390740
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11128611

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentan-3-amine?
The IUPAC name of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentan-3-amine (CID 15632284) is (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentan-3-amine.
What is the SMILES notation for (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentan-3-amine?
The canonical SMILES for (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentan-3-amine is C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)C(C)(C)C.
What is the InChIKey of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentan-3-amine?
The InChIKey is FDDLDAOZXDKWHQ-WDEREUQCSA-N. The full InChI is InChI=1S/C13H31NOSi/c1-10(11(14)12(2,3)4)15-16(8,9)13(5,6)7/h10-11H,14H2,1-9H3/t10-,11+/m0/s1.
What are the key properties of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentan-3-amine?
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentan-3-amine has a molecular weight of 245.48 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentan-3-amine is sourced from PubChem (CID 15632284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).