tert-butyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid;hydrochloride

C10H20ClF3N2O4 — CID 89157041

IUPACtert-butyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid;hydrochloride
SMILESCN(CCN)C(=O)OC(C)(C)C.Cl.O=C(O)C(F)(F)F
InChIInChI=1S/C8H18N2O2.C2HF3O2.ClH/c1-8(2,3)12-7(11)10(4)6-5-9;3-2(4,5)1(6)7;/h5-6,9H2,1-4H3;(H,6,7);1H
InChIKeyZRPQFEKSIIONSW-UHFFFAOYSA-N
MW324.73 g/mol
LogP1.87
Rot. Bonds2

About tert-butyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid;hydrochloride

tert-butyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid;hydrochloride (PubChem CID 89157041) has the molecular formula C10H20ClF3N2O4 and a molecular weight of 324.73 g/mol. Its IUPAC name is tert-butyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid;hydrochloride
PubChem CID89157041
Molecular FormulaC10H20ClF3N2O4
Molecular Weight324.73 g/mol
Exact Mass324.11
IUPAC Nametert-butyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid;hydrochloride
SMILESCN(CCN)C(=O)OC(C)(C)C.Cl.O=C(O)C(F)(F)F
InChIInChI=1S/C8H18N2O2.C2HF3O2.ClH/c1-8(2,3)12-7(11)10(4)6-5-9;3-2(4,5)1(6)7;/h5-6,9H2,1-4H3;(H,6,7);1H
InChIKeyZRPQFEKSIIONSW-UHFFFAOYSA-N
XLogP1.87
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid;hydrochloride 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-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid;hydrochloride?
The IUPAC name of tert-butyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid;hydrochloride (CID 89157041) is tert-butyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid;hydrochloride.
What is the SMILES notation for tert-butyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid;hydrochloride?
The canonical SMILES for tert-butyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid;hydrochloride is CN(CCN)C(=O)OC(C)(C)C.Cl.O=C(O)C(F)(F)F.
What is the InChIKey of tert-butyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid;hydrochloride?
The InChIKey is ZRPQFEKSIIONSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2.C2HF3O2.ClH/c1-8(2,3)12-7(11)10(4)6-5-9;3-2(4,5)1(6)7;/h5-6,9H2,1-4H3;(H,6,7);1H.
What are the key properties of tert-butyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid;hydrochloride?
tert-butyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid;hydrochloride has a molecular weight of 324.73 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid;hydrochloride is sourced from PubChem (CID 89157041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).