11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine

C27H41NOSi — CID 123279383

IUPAC11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine
SMILESCC(C)(C)[Si](OCCCCCC=CCCCCN)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H41NOSi/c1-27(2,3)30(25-19-13-11-14-20-25,26-21-15-12-16-22-26)29-24-18-10-8-6-4-5-7-9-17-23-28/h4-5,11-16,19-22H,6-10,17-18,23-24,28H2,1-3H3
InChIKeyBJALCODVCPEHAI-UHFFFAOYSA-N
MW423.72 g/mol
LogP5.81
Rot. Bonds13

About 11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine

11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine (PubChem CID 123279383) has the molecular formula C27H41NOSi and a molecular weight of 423.72 g/mol. Its IUPAC name is 11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine.

Molecular Properties

Compound Name11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine
PubChem CID123279383
Molecular FormulaC27H41NOSi
Molecular Weight423.72 g/mol
Exact Mass423.30
IUPAC Name11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine
SMILESCC(C)(C)[Si](OCCCCCC=CCCCCN)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H41NOSi/c1-27(2,3)30(25-19-13-11-14-20-25,26-21-15-12-16-22-26)29-24-18-10-8-6-4-5-7-9-17-23-28/h4-5,11-16,19-22H,6-10,17-18,23-24,28H2,1-3H3
InChIKeyBJALCODVCPEHAI-UHFFFAOYSA-N
XLogP5.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.72
LogP ≤ 55.81
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-Butyl(hexyloxy)diphenylsilane
CID 11338517
4-[[(1,1-Dimethylethyl)diphenylsilyl]oxy]-1-butanamine
CID 10042117
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
1,5-Bis-(3-aminopropyl)-1,1,5,5-tetraethoxy-3,3-diphenyltrisiloxane
CID 172907447
3-[Tert-butyl(diphenyl)silyl]oxy-2-fluoropropan-1-amine
CID 59718216
3-((Tert-butyldiphenylsilyl)oxy)-2,2-difluoropropan-1-amine
CID 68067449
[3-[[Tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanamine
CID 139985285
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropan-1-amine
CID 140870530

Frequently Asked Questions

What is the IUPAC name of 11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine?
The IUPAC name of 11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine (CID 123279383) is 11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine.
What is the SMILES notation for 11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine?
The canonical SMILES for 11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine is CC(C)(C)[Si](OCCCCCC=CCCCCN)(c1ccccc1)c1ccccc1.
What is the InChIKey of 11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine?
The InChIKey is BJALCODVCPEHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41NOSi/c1-27(2,3)30(25-19-13-11-14-20-25,26-21-15-12-16-22-26)29-24-18-10-8-6-4-5-7-9-17-23-28/h4-5,11-16,19-22H,6-10,17-18,23-24,28H2,1-3H3.
What are the key properties of 11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine?
11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine has a molecular weight of 423.72 g/mol, XLogP of 5.81, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-amine is sourced from PubChem (CID 123279383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).