tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;hydrochloride

C9H21ClN2O3 — CID 23215352

IUPACtert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NCCOCCN.Cl
InChIInChI=1S/C9H20N2O3.ClH/c1-9(2,3)14-8(12)11-5-7-13-6-4-10;/h4-7,10H2,1-3H3,(H,11,12);1H
InChIKeyCKTQXEPVLBQXPG-UHFFFAOYSA-N
MW240.73 g/mol
LogP0.91
Rot. Bonds5

About tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;hydrochloride

tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;hydrochloride (PubChem CID 23215352) has the molecular formula C9H21ClN2O3 and a molecular weight of 240.73 g/mol. Its IUPAC name is tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;hydrochloride
PubChem CID23215352
Molecular FormulaC9H21ClN2O3
Molecular Weight240.73 g/mol
Exact Mass240.12
IUPAC Nametert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NCCOCCN.Cl
InChIInChI=1S/C9H20N2O3.ClH/c1-9(2,3)14-8(12)11-5-7-13-6-4-10;/h4-7,10H2,1-3H3,(H,11,12);1H
InChIKeyCKTQXEPVLBQXPG-UHFFFAOYSA-N
XLogP0.91
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;hydrochloride?
The IUPAC name of tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;hydrochloride (CID 23215352) is tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;hydrochloride is CC(C)(C)OC(=O)NCCOCCN.Cl.
What is the InChIKey of tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;hydrochloride?
The InChIKey is CKTQXEPVLBQXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3.ClH/c1-9(2,3)14-8(12)11-5-7-13-6-4-10;/h4-7,10H2,1-3H3,(H,11,12);1H.
What are the key properties of tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;hydrochloride?
tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;hydrochloride has a molecular weight of 240.73 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;hydrochloride is sourced from PubChem (CID 23215352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).