ethyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid

C8H15F3N2O4 — CID 87130668

IUPACethyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid
SMILESCCOC(=O)N(C)CCN.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2O2.C2HF3O2/c1-3-10-6(9)8(2)5-4-7;3-2(4,5)1(6)7/h3-5,7H2,1-2H3;(H,6,7)
InChIKeyIBZIPDYJIOBNTG-UHFFFAOYSA-N
MW260.21 g/mol
LogP0.67
Rot. Bonds3

About ethyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid

ethyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid (PubChem CID 87130668) has the molecular formula C8H15F3N2O4 and a molecular weight of 260.21 g/mol. Its IUPAC name is ethyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameethyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid
PubChem CID87130668
Molecular FormulaC8H15F3N2O4
Molecular Weight260.21 g/mol
Exact Mass260.10
IUPAC Nameethyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid
SMILESCCOC(=O)N(C)CCN.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2O2.C2HF3O2/c1-3-10-6(9)8(2)5-4-7;3-2(4,5)1(6)7/h3-5,7H2,1-2H3;(H,6,7)
InChIKeyIBZIPDYJIOBNTG-UHFFFAOYSA-N
XLogP0.67
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-(3,3-dimethylbutyl)-N-methylcarbamate
CID 162784649
ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate
CID 87185486
ethyl N-(2-chloroethyl)-N-methylcarbamate
CID 12882312
methyl N-(2-aminoethyl)-N-methylcarbamate
CID 58684648
ethane-1,2-diamine;2,2,2-trifluoroacetic acid
CID 87485820
ethyl N-methyl-N-octylcarbamate
CID 15790108
ethyl N-methyl-N-[3-[methyl(propanoyl)amino]propyl]carbamate
CID 170571033
ethyl N-methyl-N-[2-[methyl(methylsulfanyl)amino]ethyl]carbamate
CID 90725170
butane;ethyl N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate
CID 153346338
N,N-dimethylethanamine;2,2,2-trifluoroacetic acid
CID 118626568
ethane;ethyl N-methyl-N-(3-methylbutyl)carbamate
CID 168940776
3-N,3-N-dimethylbutane-1,3-diamine;bis(2,2,2-trifluoroacetic acid)
CID 171932253

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid?
The IUPAC name of ethyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid (CID 87130668) is ethyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for ethyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid?
The canonical SMILES for ethyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid is CCOC(=O)N(C)CCN.O=C(O)C(F)(F)F.
What is the InChIKey of ethyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid?
The InChIKey is IBZIPDYJIOBNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.C2HF3O2/c1-3-10-6(9)8(2)5-4-7;3-2(4,5)1(6)7/h3-5,7H2,1-2H3;(H,6,7).
What are the key properties of ethyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid?
ethyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid has a molecular weight of 260.21 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87130668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).