(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[1-(oxan-2-yloxy)cyclopropyl]ethanamine

C26H37NO3Si — CID 169181483

IUPAC(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[1-(oxan-2-yloxy)cyclopropyl]ethanamine
SMILESCC(C)(C)[Si](OC[C@@H](N)C1(OC2CCCCO2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H37NO3Si/c1-25(2,3)31(21-12-6-4-7-13-21,22-14-8-5-9-15-22)29-20-23(27)26(17-18-26)30-24-16-10-11-19-28-24/h4-9,12-15,23-24H,10-11,16-20,27H2,1-3H3/t23-,24?/m1/s1
InChIKeyBLZWNBJAAOMRIF-MIHMCVIASA-N
MW439.67 g/mol
LogP3.97
Rot. Bonds8

About (1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[1-(oxan-2-yloxy)cyclopropyl]ethanamine

(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[1-(oxan-2-yloxy)cyclopropyl]ethanamine (PubChem CID 169181483) has the molecular formula C26H37NO3Si and a molecular weight of 439.67 g/mol. Its IUPAC name is (1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[1-(oxan-2-yloxy)cyclopropyl]ethanamine.

Molecular Properties

Compound Name(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[1-(oxan-2-yloxy)cyclopropyl]ethanamine
PubChem CID169181483
Molecular FormulaC26H37NO3Si
Molecular Weight439.67 g/mol
Exact Mass439.25
IUPAC Name(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[1-(oxan-2-yloxy)cyclopropyl]ethanamine
SMILESCC(C)(C)[Si](OC[C@@H](N)C1(OC2CCCCO2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H37NO3Si/c1-25(2,3)31(21-12-6-4-7-13-21,22-14-8-5-9-15-22)29-20-23(27)26(17-18-26)30-24-16-10-11-19-28-24/h4-9,12-15,23-24H,10-11,16-20,27H2,1-3H3/t23-,24?/m1/s1
InChIKeyBLZWNBJAAOMRIF-MIHMCVIASA-N
XLogP3.97
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.67
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethanol
CID 15318695
tert-butyl-[(2S)-2-(oxan-2-yloxy)-3-phenylmethoxypropoxy]-diphenylsilane
CID 10885655
methyl (2S,3R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-methyl-3-(oxan-2-yloxy)pentanoate
CID 100984372
(2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3-(oxan-2-yloxy)pent-4-en-1-ol
CID 10972716
1-[1-amino-2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbonitrile
CID 169182525
5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-3-(oxan-2-yloxy)pentan-1-ol
CID 22244455
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
tert-butyl-[19-(oxan-2-yloxy)nonadeca-5,14-diynoxy]-diphenylsilane
CID 145367352
2-[tert-butyl(diphenyl)silyl]oxy-1-(oxetan-3-yl)ethanamine
CID 169182431
(3S,4S,6S,8R,10S)-1-[tert-butyl(diphenyl)silyl]oxy-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undecan-3-ol
CID 175678466
tert-butyl-[(2E)-2-[2-(oxan-2-yloxy)ethylidene]pentoxy]-diphenylsilane
CID 171813189
[(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxepan-3-yl] formate
CID 10949681

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[1-(oxan-2-yloxy)cyclopropyl]ethanamine?
The IUPAC name of (1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[1-(oxan-2-yloxy)cyclopropyl]ethanamine (CID 169181483) is (1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[1-(oxan-2-yloxy)cyclopropyl]ethanamine.
What is the SMILES notation for (1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[1-(oxan-2-yloxy)cyclopropyl]ethanamine?
The canonical SMILES for (1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[1-(oxan-2-yloxy)cyclopropyl]ethanamine is CC(C)(C)[Si](OC[C@@H](N)C1(OC2CCCCO2)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[1-(oxan-2-yloxy)cyclopropyl]ethanamine?
The InChIKey is BLZWNBJAAOMRIF-MIHMCVIASA-N. The full InChI is InChI=1S/C26H37NO3Si/c1-25(2,3)31(21-12-6-4-7-13-21,22-14-8-5-9-15-22)29-20-23(27)26(17-18-26)30-24-16-10-11-19-28-24/h4-9,12-15,23-24H,10-11,16-20,27H2,1-3H3/t23-,24?/m1/s1.
What are the key properties of (1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[1-(oxan-2-yloxy)cyclopropyl]ethanamine?
(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[1-(oxan-2-yloxy)cyclopropyl]ethanamine has a molecular weight of 439.67 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[1-(oxan-2-yloxy)cyclopropyl]ethanamine is sourced from PubChem (CID 169181483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).