(2S)-4-methyl-1-triethylsilyloxy-N-[(1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethyl]pentan-2-amine

C19H34F3NOSSi — CID 69020859

IUPAC(2S)-4-methyl-1-triethylsilyloxy-N-[(1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethyl]pentan-2-amine
SMILESCC[Si](CC)(CC)OC[C@H](CC(C)C)N[C@H](c1cc(C)cs1)C(F)(F)F
InChIInChI=1S/C19H34F3NOSSi/c1-7-26(8-2,9-3)24-12-16(10-14(4)5)23-18(19(20,21)22)17-11-15(6)13-25-17/h11,13-14,16,18,23H,7-10,12H2,1-6H3/t16-,18+/m0/s1
InChIKeyDPGRMJQGKIGYME-FUHWJXTLSA-N
MW409.63 g/mol
LogP6.69
Rot. Bonds11

About (2S)-4-methyl-1-triethylsilyloxy-N-[(1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethyl]pentan-2-amine

(2S)-4-methyl-1-triethylsilyloxy-N-[(1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethyl]pentan-2-amine (PubChem CID 69020859) has the molecular formula C19H34F3NOSSi and a molecular weight of 409.63 g/mol. Its IUPAC name is (2S)-4-methyl-1-triethylsilyloxy-N-[(1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethyl]pentan-2-amine.

Molecular Properties

Compound Name(2S)-4-methyl-1-triethylsilyloxy-N-[(1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethyl]pentan-2-amine
PubChem CID69020859
Molecular FormulaC19H34F3NOSSi
Molecular Weight409.63 g/mol
Exact Mass409.21
IUPAC Name(2S)-4-methyl-1-triethylsilyloxy-N-[(1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethyl]pentan-2-amine
SMILESCC[Si](CC)(CC)OC[C@H](CC(C)C)N[C@H](c1cc(C)cs1)C(F)(F)F
InChIInChI=1S/C19H34F3NOSSi/c1-7-26(8-2,9-3)24-12-16(10-14(4)5)23-18(19(20,21)22)17-11-15(6)13-25-17/h11,13-14,16,18,23H,7-10,12H2,1-6H3/t16-,18+/m0/s1
InChIKeyDPGRMJQGKIGYME-FUHWJXTLSA-N
XLogP6.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.63
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2S)-4-methyl-1-triethylsilyloxy-N-[(1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethyl]pentan-2-amine?
The IUPAC name of (2S)-4-methyl-1-triethylsilyloxy-N-[(1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethyl]pentan-2-amine (CID 69020859) is (2S)-4-methyl-1-triethylsilyloxy-N-[(1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethyl]pentan-2-amine.
What is the SMILES notation for (2S)-4-methyl-1-triethylsilyloxy-N-[(1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethyl]pentan-2-amine?
The canonical SMILES for (2S)-4-methyl-1-triethylsilyloxy-N-[(1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethyl]pentan-2-amine is CC[Si](CC)(CC)OC[C@H](CC(C)C)N[C@H](c1cc(C)cs1)C(F)(F)F.
What is the InChIKey of (2S)-4-methyl-1-triethylsilyloxy-N-[(1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethyl]pentan-2-amine?
The InChIKey is DPGRMJQGKIGYME-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H34F3NOSSi/c1-7-26(8-2,9-3)24-12-16(10-14(4)5)23-18(19(20,21)22)17-11-15(6)13-25-17/h11,13-14,16,18,23H,7-10,12H2,1-6H3/t16-,18+/m0/s1.
What are the key properties of (2S)-4-methyl-1-triethylsilyloxy-N-[(1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethyl]pentan-2-amine?
(2S)-4-methyl-1-triethylsilyloxy-N-[(1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethyl]pentan-2-amine has a molecular weight of 409.63 g/mol, XLogP of 6.69, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-1-triethylsilyloxy-N-[(1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethyl]pentan-2-amine is sourced from PubChem (CID 69020859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).