12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine

C31H49NOSi — CID 123176914

IUPAC12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine
SMILESCC(C)NCCCCC=CCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H49NOSi/c1-28(2)32-26-20-12-10-8-6-7-9-11-13-21-27-33-34(31(3,4)5,29-22-16-14-17-23-29)30-24-18-15-19-25-30/h6,8,14-19,22-25,28,32H,7,9-13,20-21,26-27H2,1-5H3
InChIKeyBUIQVRPSZYLOKN-UHFFFAOYSA-N
MW479.83 g/mol
LogP7.24
Rot. Bonds16

About 12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine

12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine (PubChem CID 123176914) has the molecular formula C31H49NOSi and a molecular weight of 479.83 g/mol. Its IUPAC name is 12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine.

Molecular Properties

Compound Name12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine
PubChem CID123176914
Molecular FormulaC31H49NOSi
Molecular Weight479.83 g/mol
Exact Mass479.36
IUPAC Name12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine
SMILESCC(C)NCCCCC=CCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H49NOSi/c1-28(2)32-26-20-12-10-8-6-7-9-11-13-21-27-33-34(31(3,4)5,29-22-16-14-17-23-29)30-24-18-15-19-25-30/h6,8,14-19,22-25,28,32H,7,9-13,20-21,26-27H2,1-5H3
InChIKeyBUIQVRPSZYLOKN-UHFFFAOYSA-N
XLogP7.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.83
LogP ≤ 57.24
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

(S)-2-(((Tert-butyldiphenylsilyl)oxy)methyl)pyrrolidine
CID 11234959
6-Amino-1-(t-butyldiphenylsilyloxy)hexane
CID 13009541
C21H29NOSi
CID 72762622
[3-[8-[Tert-butyl(diphenyl)silyl]oxyoctyl]aziridin-2-yl]methanol
CID 135067192
4-(2-{[Tert-butyl(diphenyl)silyl]oxy}ethyl)-4-fluoropiperidine
CID 66629995
N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxyoctadecan-2-yl]-2,2,2-trifluoroacetamide
CID 90339229
N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluorocyclohexan-1-amine
CID 156893660
tert-butyl-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-diphenylsilane
CID 170771909
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methyl-N-propan-2-ylpropan-1-amine
CID 172785843
tert-butyl-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]-diphenylsilane
CID 175426114
N-[3-[3-[tert-butyl(diphenyl)silyl]oxycyclobutyl]propyl]-4,4-difluorocyclohexan-1-amine
CID 176410249
(3R)-3-[4-[tert-butyl(diphenyl)silyl]oxybutylamino]octan-1-ol
CID 134845057

Frequently Asked Questions

What is the IUPAC name of 12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine?
The IUPAC name of 12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine (CID 123176914) is 12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine.
What is the SMILES notation for 12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine?
The canonical SMILES for 12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine is CC(C)NCCCCC=CCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine?
The InChIKey is BUIQVRPSZYLOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H49NOSi/c1-28(2)32-26-20-12-10-8-6-7-9-11-13-21-27-33-34(31(3,4)5,29-22-16-14-17-23-29)30-24-18-15-19-25-30/h6,8,14-19,22-25,28,32H,7,9-13,20-21,26-27H2,1-5H3.
What are the key properties of 12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine?
12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine has a molecular weight of 479.83 g/mol, XLogP of 7.24, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine is sourced from PubChem (CID 123176914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).