1-[1-amino-2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbonitrile

C22H28N2OSi — CID 169182525

IUPAC1-[1-amino-2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbonitrile
SMILESCC(C)(C)[Si](OCC(N)C1(C#N)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28N2OSi/c1-21(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-16-20(24)22(17-23)14-15-22/h4-13,20H,14-16,24H2,1-3H3
InChIKeyIIHCGWJKFMXOKU-UHFFFAOYSA-N
MW364.56 g/mol
LogP3.19
Rot. Bonds6

About 1-[1-amino-2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbonitrile

1-[1-amino-2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbonitrile (PubChem CID 169182525) has the molecular formula C22H28N2OSi and a molecular weight of 364.56 g/mol. Its IUPAC name is 1-[1-amino-2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[1-amino-2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbonitrile
PubChem CID169182525
Molecular FormulaC22H28N2OSi
Molecular Weight364.56 g/mol
Exact Mass364.20
IUPAC Name1-[1-amino-2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbonitrile
SMILESCC(C)(C)[Si](OCC(N)C1(C#N)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28N2OSi/c1-21(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-16-20(24)22(17-23)14-15-22/h4-13,20H,14-16,24H2,1-3H3
InChIKeyIIHCGWJKFMXOKU-UHFFFAOYSA-N
XLogP3.19
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 53.19
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

tert-butyl-[[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-cyanocyclopropyl)ethyl]amino]-oxidosulfanium
CID 175564004
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbutanenitrile
CID 135070685
4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile
CID 78163046
(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol
CID 129407863
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[1-(oxan-2-yloxy)cyclopropyl]ethanamine
CID 169181483
2-[tert-butyl(diphenyl)silyl]oxy-1-(oxetan-3-yl)ethanamine
CID 169182431
(3S)-1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]-1-azaspiro[2.3]hexane-4,4,5,5-tetracarbonitrile
CID 101036757
(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-1-en-1-one
CID 87903767
(3R,6S)-3-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3-carbonitrile
CID 66588772
1-[4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]cyclopropan-1-ol
CID 123510913
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590

Frequently Asked Questions

What is the IUPAC name of 1-[1-amino-2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[1-amino-2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbonitrile (CID 169182525) is 1-[1-amino-2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[1-amino-2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[1-amino-2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbonitrile is CC(C)(C)[Si](OCC(N)C1(C#N)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[1-amino-2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbonitrile?
The InChIKey is IIHCGWJKFMXOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2OSi/c1-21(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-16-20(24)22(17-23)14-15-22/h4-13,20H,14-16,24H2,1-3H3.
What are the key properties of 1-[1-amino-2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbonitrile?
1-[1-amino-2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbonitrile has a molecular weight of 364.56 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-amino-2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 169182525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).