4-[[(1,1-Dimethylethyl)diphenylsilyl]oxy]-1-butanamine

C20H29NOSi — CID 10042117

IUPAC4-[tert-butyl(diphenyl)silyl]oxybutan-1-amine
SMILESCC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCCCCN
InChIInChI=1S/C20H29NOSi/c1-20(2,3)23(22-17-11-10-16-21,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15H,10-11,16-17,21H2,1-3H3
InChIKeyYHWUJDSSJRLWMX-UHFFFAOYSA-N
MW327.50 g/mol
LogP—
Rot. Bonds8

About 4-[[(1,1-Dimethylethyl)diphenylsilyl]oxy]-1-butanamine

4-[[(1,1-Dimethylethyl)diphenylsilyl]oxy]-1-butanamine (PubChem CID 10042117) has the molecular formula C20H29NOSi and a molecular weight of 327.50 g/mol. Its IUPAC name is 4-[tert-butyl(diphenyl)silyl]oxybutan-1-amine.

Molecular Properties

Compound Name4-[[(1,1-Dimethylethyl)diphenylsilyl]oxy]-1-butanamine
PubChem CID10042117
Molecular FormulaC20H29NOSi
Molecular Weight327.50 g/mol
Exact Mass327.20
IUPAC Name4-[tert-butyl(diphenyl)silyl]oxybutan-1-amine
SMILESCC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCCCCN
InChIInChI=1S/C20H29NOSi/c1-20(2,3)23(22-17-11-10-16-21,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15H,10-11,16-17,21H2,1-3H3
InChIKeyYHWUJDSSJRLWMX-UHFFFAOYSA-N
XLogP—
TPSA35.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity309

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Propylamine, 3-(diphenylethylsilyl)-
CID 205461
Butoxy-tert-butyl-diphenylsilane
CID 3597126
tert-Butyl(pent-4-en-1-yloxy)diphenylsilane
CID 10829859
2-(t-Butyldiphenylsilyloxy)ethylamine
CID 11001043
1-[Tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-amine
CID 11131656
6-Amino-1-(t-butyldiphenylsilyloxy)hexane
CID 13009541
1-[[(1,1-Dimethylethyl)diphenylsilyl]oxy]-2-propanamine
CID 13615027
3-Amino-1-(t-butyldiphenylsilyloxy)propane
CID 15174653
(2S)-2-Amino-3-{[tert-butyl(diphenyl)silyl]oxy}propan-1-ol
CID 71362476
N-diphenylsilylbutan-1-amine
CID 101755832
3,3'-(1,5-Bis(3-aminopropoxy)-3,3-diphenyl-1,5-diethoxytrisiloxane-1,5-diyl)bis-(propane-1-amine)
CID 172053498
1,5-Bis-(3-aminopropyl)-1,1,5,5-tetraethoxy-3,3-diphenyltrisiloxane
CID 172907447

Frequently Asked Questions

What is the IUPAC name of 4-[[(1,1-Dimethylethyl)diphenylsilyl]oxy]-1-butanamine?
The IUPAC name of 4-[[(1,1-Dimethylethyl)diphenylsilyl]oxy]-1-butanamine (CID 10042117) is 4-[tert-butyl(diphenyl)silyl]oxybutan-1-amine.
What is the SMILES notation for 4-[[(1,1-Dimethylethyl)diphenylsilyl]oxy]-1-butanamine?
The canonical SMILES for 4-[[(1,1-Dimethylethyl)diphenylsilyl]oxy]-1-butanamine is CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCCCCN.
What is the InChIKey of 4-[[(1,1-Dimethylethyl)diphenylsilyl]oxy]-1-butanamine?
The InChIKey is YHWUJDSSJRLWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NOSi/c1-20(2,3)23(22-17-11-10-16-21,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15H,10-11,16-17,21H2,1-3H3.
What are the key properties of 4-[[(1,1-Dimethylethyl)diphenylsilyl]oxy]-1-butanamine?
4-[[(1,1-Dimethylethyl)diphenylsilyl]oxy]-1-butanamine has a molecular weight of 327.50 g/mol, XLogP of not available, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1,1-Dimethylethyl)diphenylsilyl]oxy]-1-butanamine is sourced from PubChem (CID 10042117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).