tert-butyl N-(2-aminoethyl)-N-methylcarbamate

C8H18N2O2 — CID 2756424

IUPACtert-butyl N-(2-aminoethyl)-N-methylcarbamate
SMILESCN(CCN)C(=O)OC(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-8(2,3)12-7(11)10(4)6-5-9/h5-6,9H2,1-4H3
InChIKeyQYJVBVKFXDHFPQ-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.81
Rot. Bonds2

About tert-butyl N-(2-aminoethyl)-N-methylcarbamate

tert-butyl N-(2-aminoethyl)-N-methylcarbamate (PubChem CID 2756424) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is tert-butyl N-(2-aminoethyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-aminoethyl)-N-methylcarbamate
PubChem CID2756424
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Nametert-butyl N-(2-aminoethyl)-N-methylcarbamate
SMILESCN(CCN)C(=O)OC(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-8(2,3)12-7(11)10(4)6-5-9/h5-6,9H2,1-4H3
InChIKeyQYJVBVKFXDHFPQ-UHFFFAOYSA-N
XLogP0.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-aminoethyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(2-aminoethyl)-N-methylcarbamate (CID 2756424) is tert-butyl N-(2-aminoethyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(2-aminoethyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(2-aminoethyl)-N-methylcarbamate is CN(CCN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-aminoethyl)-N-methylcarbamate?
The InChIKey is QYJVBVKFXDHFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-8(2,3)12-7(11)10(4)6-5-9/h5-6,9H2,1-4H3.
What are the key properties of tert-butyl N-(2-aminoethyl)-N-methylcarbamate?
tert-butyl N-(2-aminoethyl)-N-methylcarbamate has a molecular weight of 174.24 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-aminoethyl)-N-methylcarbamate is sourced from PubChem (CID 2756424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).