4-[tert-butyl(dimethyl)silyl]oxy-2-phenylbutan-1-amine

C16H29NOSi — CID 18354475

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-phenylbutan-1-amine
SMILESCC(C)(C)[Si](C)(C)OCCC(CN)c1ccccc1
InChIInChI=1S/C16H29NOSi/c1-16(2,3)19(4,5)18-12-11-15(13-17)14-9-7-6-8-10-14/h6-10,15H,11-13,17H2,1-5H3
InChIKeyNEYRWHHMYBGEAM-UHFFFAOYSA-N
MW279.50 g/mol
LogP4.14
Rot. Bonds6

About 4-[tert-butyl(dimethyl)silyl]oxy-2-phenylbutan-1-amine

4-[tert-butyl(dimethyl)silyl]oxy-2-phenylbutan-1-amine (PubChem CID 18354475) has the molecular formula C16H29NOSi and a molecular weight of 279.50 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-phenylbutan-1-amine.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-phenylbutan-1-amine
PubChem CID18354475
Molecular FormulaC16H29NOSi
Molecular Weight279.50 g/mol
Exact Mass279.20
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-phenylbutan-1-amine
SMILESCC(C)(C)[Si](C)(C)OCCC(CN)c1ccccc1
InChIInChI=1S/C16H29NOSi/c1-16(2,3)19(4,5)18-12-11-15(13-17)14-9-7-6-8-10-14/h6-10,15H,11-13,17H2,1-5H3
InChIKeyNEYRWHHMYBGEAM-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.50
LogP ≤ 54.14
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 4-[tert-butyl(dimethyl)silyl]oxy-2-phenylbutan-1-amine?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-phenylbutan-1-amine (CID 18354475) is 4-[tert-butyl(dimethyl)silyl]oxy-2-phenylbutan-1-amine.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-phenylbutan-1-amine?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-phenylbutan-1-amine is CC(C)(C)[Si](C)(C)OCCC(CN)c1ccccc1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-phenylbutan-1-amine?
The InChIKey is NEYRWHHMYBGEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NOSi/c1-16(2,3)19(4,5)18-12-11-15(13-17)14-9-7-6-8-10-14/h6-10,15H,11-13,17H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-phenylbutan-1-amine?
4-[tert-butyl(dimethyl)silyl]oxy-2-phenylbutan-1-amine has a molecular weight of 279.50 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2-phenylbutan-1-amine is sourced from PubChem (CID 18354475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).