(1S)-1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropyl]-3-methylbutan-1-amine

C26H39NOSi — CID 67311547

IUPAC(1S)-1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropyl]-3-methylbutan-1-amine
SMILESCC(C)C[C@H](N)C1CC1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H39NOSi/c1-20(2)18-25(27)24-19-21(24)16-17-28-29(26(3,4)5,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,20-21,24-25H,16-19,27H2,1-5H3/t21?,24?,25-/m0/s1
InChIKeyDBONEDUJCIFRIS-MTQWGCILSA-N
MW409.69 g/mol
LogP4.96
Rot. Bonds9

About (1S)-1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropyl]-3-methylbutan-1-amine

(1S)-1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropyl]-3-methylbutan-1-amine (PubChem CID 67311547) has the molecular formula C26H39NOSi and a molecular weight of 409.69 g/mol. Its IUPAC name is (1S)-1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name(1S)-1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropyl]-3-methylbutan-1-amine
PubChem CID67311547
Molecular FormulaC26H39NOSi
Molecular Weight409.69 g/mol
Exact Mass409.28
IUPAC Name(1S)-1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropyl]-3-methylbutan-1-amine
SMILESCC(C)C[C@H](N)C1CC1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H39NOSi/c1-20(2)18-25(27)24-19-21(24)16-17-28-29(26(3,4)5,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,20-21,24-25H,16-19,27H2,1-5H3/t21?,24?,25-/m0/s1
InChIKeyDBONEDUJCIFRIS-MTQWGCILSA-N
XLogP4.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.69
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropyl]-3-methylbutan-1-amine?
The IUPAC name of (1S)-1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropyl]-3-methylbutan-1-amine (CID 67311547) is (1S)-1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropyl]-3-methylbutan-1-amine.
What is the SMILES notation for (1S)-1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropyl]-3-methylbutan-1-amine?
The canonical SMILES for (1S)-1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropyl]-3-methylbutan-1-amine is CC(C)C[C@H](N)C1CC1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (1S)-1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropyl]-3-methylbutan-1-amine?
The InChIKey is DBONEDUJCIFRIS-MTQWGCILSA-N. The full InChI is InChI=1S/C26H39NOSi/c1-20(2)18-25(27)24-19-21(24)16-17-28-29(26(3,4)5,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,20-21,24-25H,16-19,27H2,1-5H3/t21?,24?,25-/m0/s1.
What are the key properties of (1S)-1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropyl]-3-methylbutan-1-amine?
(1S)-1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropyl]-3-methylbutan-1-amine has a molecular weight of 409.69 g/mol, XLogP of 4.96, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropyl]-3-methylbutan-1-amine is sourced from PubChem (CID 67311547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).