tert-butyl N-[2-(methylamino)ethyl]carbamate

C8H18N2O2 — CID 3435744

IUPACtert-butyl N-[2-(methylamino)ethyl]carbamate
SMILESCNCCNC(=O)OC(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-8(2,3)12-7(11)10-6-5-9-4/h9H,5-6H2,1-4H3,(H,10,11)
InChIKeyGKWGBMHXVRSFRT-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.73
Rot. Bonds3

About tert-butyl N-[2-(methylamino)ethyl]carbamate

tert-butyl N-[2-(methylamino)ethyl]carbamate (PubChem CID 3435744) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is tert-butyl N-[2-(methylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(methylamino)ethyl]carbamate
PubChem CID3435744
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Nametert-butyl N-[2-(methylamino)ethyl]carbamate
SMILESCNCCNC(=O)OC(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-8(2,3)12-7(11)10-6-5-9-4/h9H,5-6H2,1-4H3,(H,10,11)
InChIKeyGKWGBMHXVRSFRT-UHFFFAOYSA-N
XLogP0.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(methylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(methylamino)ethyl]carbamate (CID 3435744) is tert-butyl N-[2-(methylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(methylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(methylamino)ethyl]carbamate is CNCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(methylamino)ethyl]carbamate?
The InChIKey is GKWGBMHXVRSFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-8(2,3)12-7(11)10-6-5-9-4/h9H,5-6H2,1-4H3,(H,10,11).
What are the key properties of tert-butyl N-[2-(methylamino)ethyl]carbamate?
tert-butyl N-[2-(methylamino)ethyl]carbamate has a molecular weight of 174.24 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(methylamino)ethyl]carbamate is sourced from PubChem (CID 3435744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).