2-methylpropyl N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)carbamate

C9H17F3N2O2 — CID 107493763

IUPAC2-methylpropyl N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)carbamate
SMILESCC(C)COC(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-7(2)5-16-8(15)14(4-3-13)6-9(10,11)12/h7H,3-6,13H2,1-2H3
InChIKeyZTGICZSPKFBALO-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.60
Rot. Bonds5

About 2-methylpropyl N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)carbamate

2-methylpropyl N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)carbamate (PubChem CID 107493763) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-methylpropyl N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)carbamate
PubChem CID107493763
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name2-methylpropyl N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)carbamate
SMILESCC(C)COC(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-7(2)5-16-8(15)14(4-3-13)6-9(10,11)12/h7H,3-6,13H2,1-2H3
InChIKeyZTGICZSPKFBALO-UHFFFAOYSA-N
XLogP1.60
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)carbamate?
The IUPAC name of 2-methylpropyl N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)carbamate (CID 107493763) is 2-methylpropyl N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)carbamate?
The canonical SMILES for 2-methylpropyl N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)carbamate is CC(C)COC(=O)N(CCN)CC(F)(F)F.
What is the InChIKey of 2-methylpropyl N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)carbamate?
The InChIKey is ZTGICZSPKFBALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-7(2)5-16-8(15)14(4-3-13)6-9(10,11)12/h7H,3-6,13H2,1-2H3.
What are the key properties of 2-methylpropyl N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)carbamate?
2-methylpropyl N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)carbamate has a molecular weight of 242.24 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)carbamate is sourced from PubChem (CID 107493763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).