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

C9H20N2O2 — CID 14403871

IUPACtert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate
SMILESCNCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C9H20N2O2/c1-9(2,3)13-8(12)11(5)7-6-10-4/h10H,6-7H2,1-5H3
InChIKeyDFVRUHANEXOZGT-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.07
Rot. Bonds3

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

tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate (PubChem CID 14403871) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate
PubChem CID14403871
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Nametert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate
SMILESCNCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C9H20N2O2/c1-9(2,3)13-8(12)11(5)7-6-10-4/h10H,6-7H2,1-5H3
InChIKeyDFVRUHANEXOZGT-UHFFFAOYSA-N
XLogP1.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate (CID 14403871) is tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate is CNCCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate?
The InChIKey is DFVRUHANEXOZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-9(2,3)13-8(12)11(5)7-6-10-4/h10H,6-7H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate?
tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate has a molecular weight of 188.27 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate is sourced from PubChem (CID 14403871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).