[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanamine

C21H29NOSi — CID 85108691

IUPAC[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanamine
SMILESCC(C)(C)[Si](OCC1CC1CN)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NOSi/c1-21(2,3)24(19-10-6-4-7-11-19,20-12-8-5-9-13-20)23-16-18-14-17(18)15-22/h4-13,17-18H,14-16,22H2,1-3H3
InChIKeyNMFRBCLIERXFLE-UHFFFAOYSA-N
MW339.56 g/mol
LogP3.16
Rot. Bonds6

About [2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanamine

[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanamine (PubChem CID 85108691) has the molecular formula C21H29NOSi and a molecular weight of 339.56 g/mol. Its IUPAC name is [2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanamine
PubChem CID85108691
Molecular FormulaC21H29NOSi
Molecular Weight339.56 g/mol
Exact Mass339.20
IUPAC Name[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanamine
SMILESCC(C)(C)[Si](OCC1CC1CN)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NOSi/c1-21(2,3)24(19-10-6-4-7-11-19,20-12-8-5-9-13-20)23-16-18-14-17(18)15-22/h4-13,17-18H,14-16,22H2,1-3H3
InChIKeyNMFRBCLIERXFLE-UHFFFAOYSA-N
XLogP3.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.56
LogP ≤ 53.16
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 [2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanamine?
The IUPAC name of [2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanamine (CID 85108691) is [2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanamine.
What is the SMILES notation for [2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanamine?
The canonical SMILES for [2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanamine is CC(C)(C)[Si](OCC1CC1CN)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanamine?
The InChIKey is NMFRBCLIERXFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NOSi/c1-21(2,3)24(19-10-6-4-7-11-19,20-12-8-5-9-13-20)23-16-18-14-17(18)15-22/h4-13,17-18H,14-16,22H2,1-3H3.
What are the key properties of [2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanamine?
[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanamine has a molecular weight of 339.56 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanamine is sourced from PubChem (CID 85108691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).