tert-butyl N-(2-aminoethyl)-N-(2-hydroxypropyl)carbamate

C10H22N2O3 — CID 75480655

IUPACtert-butyl N-(2-aminoethyl)-N-(2-hydroxypropyl)carbamate
SMILESCC(O)CN(CCN)C(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O3/c1-8(13)7-12(6-5-11)9(14)15-10(2,3)4/h8,13H,5-7,11H2,1-4H3
InChIKeyVLXYEQXFLYGVFK-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.56
Rot. Bonds4

About tert-butyl N-(2-aminoethyl)-N-(2-hydroxypropyl)carbamate

tert-butyl N-(2-aminoethyl)-N-(2-hydroxypropyl)carbamate (PubChem CID 75480655) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is tert-butyl N-(2-aminoethyl)-N-(2-hydroxypropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-aminoethyl)-N-(2-hydroxypropyl)carbamate
PubChem CID75480655
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Nametert-butyl N-(2-aminoethyl)-N-(2-hydroxypropyl)carbamate
SMILESCC(O)CN(CCN)C(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O3/c1-8(13)7-12(6-5-11)9(14)15-10(2,3)4/h8,13H,5-7,11H2,1-4H3
InChIKeyVLXYEQXFLYGVFK-UHFFFAOYSA-N
XLogP0.56
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-aminoethyl)-N-(2-hydroxypropyl)carbamate?
The IUPAC name of tert-butyl N-(2-aminoethyl)-N-(2-hydroxypropyl)carbamate (CID 75480655) is tert-butyl N-(2-aminoethyl)-N-(2-hydroxypropyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-aminoethyl)-N-(2-hydroxypropyl)carbamate?
The canonical SMILES for tert-butyl N-(2-aminoethyl)-N-(2-hydroxypropyl)carbamate is CC(O)CN(CCN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-aminoethyl)-N-(2-hydroxypropyl)carbamate?
The InChIKey is VLXYEQXFLYGVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-8(13)7-12(6-5-11)9(14)15-10(2,3)4/h8,13H,5-7,11H2,1-4H3.
What are the key properties of tert-butyl N-(2-aminoethyl)-N-(2-hydroxypropyl)carbamate?
tert-butyl N-(2-aminoethyl)-N-(2-hydroxypropyl)carbamate has a molecular weight of 218.30 g/mol, XLogP of 0.56, 4 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-(2-hydroxypropyl)carbamate is sourced from PubChem (CID 75480655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).