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

C11H24N2O2 — CID 89066320

IUPACtert-butyl N-methyl-N-[2-(propylamino)ethyl]carbamate
SMILESCCCNCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-6-7-12-8-9-13(5)10(14)15-11(2,3)4/h12H,6-9H2,1-5H3
InChIKeyBXIVHWVNGRZEMR-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.85
Rot. Bonds5

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

tert-butyl N-methyl-N-[2-(propylamino)ethyl]carbamate (PubChem CID 89066320) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-(propylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-(propylamino)ethyl]carbamate
PubChem CID89066320
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Nametert-butyl N-methyl-N-[2-(propylamino)ethyl]carbamate
SMILESCCCNCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-6-7-12-8-9-13(5)10(14)15-11(2,3)4/h12H,6-9H2,1-5H3
InChIKeyBXIVHWVNGRZEMR-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-(hexylamino)propyl]-N-methylcarbamate
CID 107242003
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethyl]-N-methylcarbamate
CID 172868636
tert-butyl N-[2-(cyclobutylmethylamino)ethyl]-N-methylcarbamate
CID 107245079
tert-butyl N-[2-(butan-2-ylamino)ethyl]-N-methylcarbamate
CID 115716335
tert-butyl N-methyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate
CID 107245065
N-methyl-N-[2-(propylamino)ethyl]acetamide
CID 21337705
tert-butyl N-[2-[[2-(aminomethyl)-3-methylbutyl]amino]ethyl]-N-methylcarbamate
CID 107442949
tert-butyl N-methyl-N-(3-propylhexyl)carbamate
CID 139566665
tert-butyl N-[2-[(4-cyano-2,2-dimethylbutyl)amino]ethyl]-N-methylcarbamate
CID 103698954
tert-butyl N-[2-[(2-chlorophenyl)methylamino]ethyl]-N-methylcarbamate
CID 103638800
tert-butyl N-methyl-N-[2-(methylaminocarbamoylamino)ethyl]carbamate
CID 142912677
tert-butyl N-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
CID 103698952

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-(propylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-(propylamino)ethyl]carbamate (CID 89066320) is tert-butyl N-methyl-N-[2-(propylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-(propylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-(propylamino)ethyl]carbamate is CCCNCCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-(propylamino)ethyl]carbamate?
The InChIKey is BXIVHWVNGRZEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-6-7-12-8-9-13(5)10(14)15-11(2,3)4/h12H,6-9H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[2-(propylamino)ethyl]carbamate?
tert-butyl N-methyl-N-[2-(propylamino)ethyl]carbamate has a molecular weight of 216.32 g/mol, XLogP of 1.85, 5 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-(propylamino)ethyl]carbamate is sourced from PubChem (CID 89066320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).