3-[3-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]phenyl]propan-1-amine

C20H37NO2Si — CID 67316685

IUPAC3-[3-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]phenyl]propan-1-amine
SMILESCC(C)(C)[Si](C)(C)OCCCCCOc1cccc(CCCN)c1
InChIInChI=1S/C20H37NO2Si/c1-20(2,3)24(4,5)23-16-8-6-7-15-22-19-13-9-11-18(17-19)12-10-14-21/h9,11,13,17H,6-8,10,12,14-16,21H2,1-5H3
InChIKeyVKDFLGZSAKLVHN-UHFFFAOYSA-N
MW351.61 g/mol
LogP5.15
Rot. Bonds11

About 3-[3-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]phenyl]propan-1-amine

3-[3-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]phenyl]propan-1-amine (PubChem CID 67316685) has the molecular formula C20H37NO2Si and a molecular weight of 351.61 g/mol. Its IUPAC name is 3-[3-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]phenyl]propan-1-amine
PubChem CID67316685
Molecular FormulaC20H37NO2Si
Molecular Weight351.61 g/mol
Exact Mass351.26
IUPAC Name3-[3-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]phenyl]propan-1-amine
SMILESCC(C)(C)[Si](C)(C)OCCCCCOc1cccc(CCCN)c1
InChIInChI=1S/C20H37NO2Si/c1-20(2,3)24(4,5)23-16-8-6-7-15-22-19-13-9-11-18(17-19)12-10-14-21/h9,11,13,17H,6-8,10,12,14-16,21H2,1-5H3
InChIKeyVKDFLGZSAKLVHN-UHFFFAOYSA-N
XLogP5.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.61
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

methyl 2-azido-3-[3-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]phenyl]propanoate
CID 10364901
(E)-3-[3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenoxy]prop-2-enoic acid
CID 68533653
[5-[9-[tert-butyl(dimethyl)silyl]oxynonyl]-2-pyridinyl]methanamine
CID 156732410
3-[3-(2-methyl-2-propylpentoxy)phenyl]propan-1-amine
CID 143785905
tert-butyl-dimethyl-(4-pyridin-3-yloxybutoxy)silane
CID 15887443
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
2-(3-bromophenyl)ethoxy-tert-butyl-dimethylsilane
CID 11515183
4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate
CID 11688619
tert-butyl-dimethyl-[[3-(2-methylprop-2-enoxy)phenyl]methoxy]silane
CID 57096912
4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
CID 86731586

Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]phenyl]propan-1-amine?
The IUPAC name of 3-[3-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]phenyl]propan-1-amine (CID 67316685) is 3-[3-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]phenyl]propan-1-amine.
What is the SMILES notation for 3-[3-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]phenyl]propan-1-amine?
The canonical SMILES for 3-[3-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]phenyl]propan-1-amine is CC(C)(C)[Si](C)(C)OCCCCCOc1cccc(CCCN)c1.
What is the InChIKey of 3-[3-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]phenyl]propan-1-amine?
The InChIKey is VKDFLGZSAKLVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO2Si/c1-20(2,3)24(4,5)23-16-8-6-7-15-22-19-13-9-11-18(17-19)12-10-14-21/h9,11,13,17H,6-8,10,12,14-16,21H2,1-5H3.
What are the key properties of 3-[3-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]phenyl]propan-1-amine?
3-[3-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]phenyl]propan-1-amine has a molecular weight of 351.61 g/mol, XLogP of 5.15, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]phenyl]propan-1-amine is sourced from PubChem (CID 67316685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).