tert-butyl N-[2-(diethylamino)ethyl]-N-methylcarbamate

C12H26N2O2 — CID 20736571

IUPACtert-butyl N-[2-(diethylamino)ethyl]-N-methylcarbamate
SMILESCCN(CC)CCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-7-14(8-2)10-9-13(6)11(15)16-12(3,4)5/h7-10H2,1-6H3
InChIKeyPYNBZBRVLSYPLP-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.20
Rot. Bonds5

About tert-butyl N-[2-(diethylamino)ethyl]-N-methylcarbamate

tert-butyl N-[2-(diethylamino)ethyl]-N-methylcarbamate (PubChem CID 20736571) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is tert-butyl N-[2-(diethylamino)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(diethylamino)ethyl]-N-methylcarbamate
PubChem CID20736571
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Nametert-butyl N-[2-(diethylamino)ethyl]-N-methylcarbamate
SMILESCCN(CC)CCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-7-14(8-2)10-9-13(6)11(15)16-12(3,4)5/h7-10H2,1-6H3
InChIKeyPYNBZBRVLSYPLP-UHFFFAOYSA-N
XLogP2.20
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(diethylamino)ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-(diethylamino)ethyl]-N-methylcarbamate (CID 20736571) is tert-butyl N-[2-(diethylamino)ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(diethylamino)ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-(diethylamino)ethyl]-N-methylcarbamate is CCN(CC)CCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(diethylamino)ethyl]-N-methylcarbamate?
The InChIKey is PYNBZBRVLSYPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-7-14(8-2)10-9-13(6)11(15)16-12(3,4)5/h7-10H2,1-6H3.
What are the key properties of tert-butyl N-[2-(diethylamino)ethyl]-N-methylcarbamate?
tert-butyl N-[2-(diethylamino)ethyl]-N-methylcarbamate has a molecular weight of 230.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(diethylamino)ethyl]-N-methylcarbamate is sourced from PubChem (CID 20736571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).