tert-butyl N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)carbamate

C13H28N2O2 — CID 65142781

IUPACtert-butyl N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)carbamate
SMILESCC(C)CN(CCN(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-11(2)10-15(9-8-14(6)7)12(16)17-13(3,4)5/h11H,8-10H2,1-7H3
InChIKeyXQUYSRVGJSKHMS-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.44
Rot. Bonds5

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

tert-butyl N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)carbamate (PubChem CID 65142781) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is tert-butyl N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)carbamate
PubChem CID65142781
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Nametert-butyl N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)carbamate
SMILESCC(C)CN(CCN(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-11(2)10-15(9-8-14(6)7)12(16)17-13(3,4)5/h11H,8-10H2,1-7H3
InChIKeyXQUYSRVGJSKHMS-UHFFFAOYSA-N
XLogP2.44
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)carbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-(2-methylpropyl)-N-(trimethylstannylmethyl)carbamate
CID 10904223
tert-butyl N-(2-aminoethyl)-N-[(2S)-2-hydroxypropyl]carbamate
CID 97184684
tert-butyl N-[(2S)-2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-N-(2-methylpropyl)carbamate
CID 21309176
tert-butyl N-ethyl-N-(2-methylbutyl)carbamate
CID 79470192
tert-butyl N-ethyl-N-(3-methylbutyl)carbamate;prop-1-ene
CID 143879621
tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane
CID 163221568
tert-butyl N-ethyl-N-(2-fluoropropyl)carbamate
CID 123629374
tert-butyl N-[2-(ethylamino)ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257153
(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]propanoic acid
CID 170277244
tert-butyl N-(2-hydroxyethyl)-N-[2-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
CID 554102
tert-butyl N-[3-[3,5-bis(hydroxymethyl)phenoxy]propyl]-N-(2-methylpropyl)carbamate
CID 131737053
tert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate
CID 176669886

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)carbamate?
The IUPAC name of tert-butyl N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)carbamate (CID 65142781) is tert-butyl N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)carbamate?
The canonical SMILES for tert-butyl N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)carbamate is CC(C)CN(CCN(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)carbamate?
The InChIKey is XQUYSRVGJSKHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(2)10-15(9-8-14(6)7)12(16)17-13(3,4)5/h11H,8-10H2,1-7H3.
What are the key properties of tert-butyl N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)carbamate?
tert-butyl N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)carbamate has a molecular weight of 244.38 g/mol, XLogP of 2.44, 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-(dimethylamino)ethyl]-N-(2-methylpropyl)carbamate is sourced from PubChem (CID 65142781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).