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

C13H29NO2Si — CID 67291290

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexan-1-amine
SMILESCOC1CCCC(N)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H29NO2Si/c1-13(2,3)17(5,6)16-12-10(14)8-7-9-11(12)15-4/h10-12H,7-9,14H2,1-6H3
InChIKeyLPYFYFKEPNIPTE-UHFFFAOYSA-N
MW259.47 g/mol
LogP2.90
Rot. Bonds3

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

2-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexan-1-amine (PubChem CID 67291290) has the molecular formula C13H29NO2Si and a molecular weight of 259.47 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexan-1-amine.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexan-1-amine
PubChem CID67291290
Molecular FormulaC13H29NO2Si
Molecular Weight259.47 g/mol
Exact Mass259.20
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexan-1-amine
SMILESCOC1CCCC(N)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H29NO2Si/c1-13(2,3)17(5,6)16-12-10(14)8-7-9-11(12)15-4/h10-12H,7-9,14H2,1-6H3
InChIKeyLPYFYFKEPNIPTE-UHFFFAOYSA-N
XLogP2.90
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2S,6R)-2-azido-6-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane
CID 123169753
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609
[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 170904845
[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 170904797
(1S,2S,3R)-3-methoxycyclohexane-1,2-diamine
CID 89131263
(2-methoxycyclopentyl)methanamine
CID 43428752
cis-(1S,2R)-2-methoxycycloheptan-1-amine
CID 30817490
cis-(1S,2R)-2-methoxycyclohexan-1-amine;hydrochloride
CID 67541561
tert-butyl-dimethyl-[[(1R,2S,9R,10S,11R,14S)-15-tetracyclo[8.4.1.02,9.011,14]pentadecanyl]oxy]silane
CID 162408684
cis-(1R,2S)-1,2-dimethoxycyclopentane
CID 21122335
tert-butyl-dimethyl-[(1S,2S)-2-(1-trimethylsilylethenyl)cyclopentyl]oxysilane
CID 102254534
tert-butyl-dimethyl-[(2R,3S)-2-methyloxan-3-yl]oxysilane
CID 135079146

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexan-1-amine?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexan-1-amine (CID 67291290) is 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexan-1-amine.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexan-1-amine?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexan-1-amine is COC1CCCC(N)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexan-1-amine?
The InChIKey is LPYFYFKEPNIPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2Si/c1-13(2,3)17(5,6)16-12-10(14)8-7-9-11(12)15-4/h10-12H,7-9,14H2,1-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexan-1-amine?
2-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexan-1-amine has a molecular weight of 259.47 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexan-1-amine is sourced from PubChem (CID 67291290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).