tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;2,2,2-trifluoroacetic acid

C11H21F3N2O4 — CID 174629010

IUPACtert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;2,2,2-trifluoroacetic acid
SMILESCNCCN(C)C(=O)OC(C)(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C9H20N2O2.C2HF3O2/c1-9(2,3)13-8(12)11(5)7-6-10-4;3-2(4,5)1(6)7/h10H,6-7H2,1-5H3;(H,6,7)
InChIKeyUJSIMRKECMRRNJ-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.71
Rot. Bonds3

About tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;2,2,2-trifluoroacetic acid

tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;2,2,2-trifluoroacetic acid (PubChem CID 174629010) has the molecular formula C11H21F3N2O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;2,2,2-trifluoroacetic acid
PubChem CID174629010
Molecular FormulaC11H21F3N2O4
Molecular Weight302.29 g/mol
Exact Mass302.15
IUPAC Nametert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;2,2,2-trifluoroacetic acid
SMILESCNCCN(C)C(=O)OC(C)(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C9H20N2O2.C2HF3O2/c1-9(2,3)13-8(12)11(5)7-6-10-4;3-2(4,5)1(6)7/h10H,6-7H2,1-5H3;(H,6,7)
InChIKeyUJSIMRKECMRRNJ-UHFFFAOYSA-N
XLogP1.71
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;2,2,2-trifluoroacetic acid?
The IUPAC name of tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;2,2,2-trifluoroacetic acid (CID 174629010) is tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;2,2,2-trifluoroacetic acid?
The canonical SMILES for tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;2,2,2-trifluoroacetic acid is CNCCN(C)C(=O)OC(C)(C)C.O=C(O)C(F)(F)F.
What is the InChIKey of tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;2,2,2-trifluoroacetic acid?
The InChIKey is UJSIMRKECMRRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2.C2HF3O2/c1-9(2,3)13-8(12)11(5)7-6-10-4;3-2(4,5)1(6)7/h10H,6-7H2,1-5H3;(H,6,7).
What are the key properties of tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;2,2,2-trifluoroacetic acid?
tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;2,2,2-trifluoroacetic acid has a molecular weight of 302.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174629010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).