tert-butyl N-(2-methoxyethylamino)carbamate

C8H18N2O3 — CID 87253859

IUPACtert-butyl N-(2-methoxyethylamino)carbamate
SMILESCOCCNNC(=O)OC(C)(C)C
InChIInChI=1S/C8H18N2O3/c1-8(2,3)13-7(11)10-9-5-6-12-4/h9H,5-6H2,1-4H3,(H,10,11)
InChIKeyIPFYZEJBPAOSEY-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.66
Rot. Bonds4

About tert-butyl N-(2-methoxyethylamino)carbamate

tert-butyl N-(2-methoxyethylamino)carbamate (PubChem CID 87253859) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is tert-butyl N-(2-methoxyethylamino)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methoxyethylamino)carbamate
PubChem CID87253859
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Nametert-butyl N-(2-methoxyethylamino)carbamate
SMILESCOCCNNC(=O)OC(C)(C)C
InChIInChI=1S/C8H18N2O3/c1-8(2,3)13-7(11)10-9-5-6-12-4/h9H,5-6H2,1-4H3,(H,10,11)
InChIKeyIPFYZEJBPAOSEY-UHFFFAOYSA-N
XLogP0.66
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.66
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

tert-butyl N-[2-(2-aminoethoxy)ethylamino]carbamate
CID 150569720
tert-butyl N-(octylamino)carbamate
CID 107237086
tert-butyl N-[4-(2-methoxyethoxy)butyl]carbamate
CID 58725633
tert-butyl N-(4-methylsulfanylbutylamino)carbamate
CID 107237275
tert-butyl N-[2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170538962
tert-butyl N-[(3-ethoxy-3-methylbutyl)amino]carbamate
CID 134511015
tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate
CID 103386968
tert-butyl N-[2-(methoxymethylperoxy)ethyl]carbamate
CID 170098120
tert-butyl N-(bromomethyl)carbamate
CID 20614913
tert-butyl N-(bromoamino)carbamate
CID 91402746
tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
tert-butyl N-(2-bromoethyl)carbamate;methane
CID 158621054

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methoxyethylamino)carbamate?
The IUPAC name of tert-butyl N-(2-methoxyethylamino)carbamate (CID 87253859) is tert-butyl N-(2-methoxyethylamino)carbamate.
What is the SMILES notation for tert-butyl N-(2-methoxyethylamino)carbamate?
The canonical SMILES for tert-butyl N-(2-methoxyethylamino)carbamate is COCCNNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-methoxyethylamino)carbamate?
The InChIKey is IPFYZEJBPAOSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-8(2,3)13-7(11)10-9-5-6-12-4/h9H,5-6H2,1-4H3,(H,10,11).
What are the key properties of tert-butyl N-(2-methoxyethylamino)carbamate?
tert-butyl N-(2-methoxyethylamino)carbamate has a molecular weight of 190.24 g/mol, XLogP of 0.66, 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-methoxyethylamino)carbamate is sourced from PubChem (CID 87253859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).