tert-butyl N-(2-aminoethoxy)carbamate;hydrochloride

C7H17ClN2O3 — CID 135285194

IUPACtert-butyl N-(2-aminoethoxy)carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NOCCN.Cl
InChIInChI=1S/C7H16N2O3.ClH/c1-7(2,3)12-6(10)9-11-5-4-8;/h4-5,8H2,1-3H3,(H,9,10);1H
InChIKeySBNXDZSSQZYECN-UHFFFAOYSA-N
MW212.68 g/mol
LogP0.82
Rot. Bonds3

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

tert-butyl N-(2-aminoethoxy)carbamate;hydrochloride (PubChem CID 135285194) has the molecular formula C7H17ClN2O3 and a molecular weight of 212.68 g/mol. Its IUPAC name is tert-butyl N-(2-aminoethoxy)carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-(2-aminoethoxy)carbamate;hydrochloride
PubChem CID135285194
Molecular FormulaC7H17ClN2O3
Molecular Weight212.68 g/mol
Exact Mass212.09
IUPAC Nametert-butyl N-(2-aminoethoxy)carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NOCCN.Cl
InChIInChI=1S/C7H16N2O3.ClH/c1-7(2,3)12-6(10)9-11-5-4-8;/h4-5,8H2,1-3H3,(H,9,10);1H
InChIKeySBNXDZSSQZYECN-UHFFFAOYSA-N
XLogP0.82
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethyl 2-bromo-2-methylpropanoate
CID 86659550
tert-butyl N-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]carbamate
CID 59981200
tert-butyl 3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethoxy]propanoate
CID 91757752
tert-butyl N-[2-(2-aminoethylamino)-2-oxoethoxy]carbamate
CID 87181188
tert-butyl N-[2-[2-(2-iodosulfanyloxyethoxy)ethoxy]ethoxy]carbamate;ethane
CID 177228817
tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride
CID 45072479
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
CID 159460097
tert-butyl N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]carbamate
CID 134827749
tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]carbamate
CID 91809469
2-aminoethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 91323049
tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate
CID 87187149
tert-butyl N-[2-(ethylamino)-2-oxoethoxy]carbamate
CID 88940321

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-aminoethoxy)carbamate;hydrochloride?
The IUPAC name of tert-butyl N-(2-aminoethoxy)carbamate;hydrochloride (CID 135285194) is tert-butyl N-(2-aminoethoxy)carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-(2-aminoethoxy)carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-(2-aminoethoxy)carbamate;hydrochloride is CC(C)(C)OC(=O)NOCCN.Cl.
What is the InChIKey of tert-butyl N-(2-aminoethoxy)carbamate;hydrochloride?
The InChIKey is SBNXDZSSQZYECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3.ClH/c1-7(2,3)12-6(10)9-11-5-4-8;/h4-5,8H2,1-3H3,(H,9,10);1H.
What are the key properties of tert-butyl N-(2-aminoethoxy)carbamate;hydrochloride?
tert-butyl N-(2-aminoethoxy)carbamate;hydrochloride has a molecular weight of 212.68 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-aminoethoxy)carbamate;hydrochloride is sourced from PubChem (CID 135285194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).