tert-butyl N-methyl-N-(2-methylbut-3-enyl)carbamate

C11H21NO2 — CID 59650917

IUPACtert-butyl N-methyl-N-(2-methylbut-3-enyl)carbamate
SMILESC=CC(C)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-7-9(2)8-12(6)10(13)14-11(3,4)5/h7,9H,1,8H2,2-6H3
InChIKeyXRHXLPPAJQISIS-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.68
Rot. Bonds3

About tert-butyl N-methyl-N-(2-methylbut-3-enyl)carbamate

tert-butyl N-methyl-N-(2-methylbut-3-enyl)carbamate (PubChem CID 59650917) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(2-methylbut-3-enyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(2-methylbut-3-enyl)carbamate
PubChem CID59650917
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametert-butyl N-methyl-N-(2-methylbut-3-enyl)carbamate
SMILESC=CC(C)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-7-9(2)8-12(6)10(13)14-11(3,4)5/h7,9H,1,8H2,2-6H3
InChIKeyXRHXLPPAJQISIS-UHFFFAOYSA-N
XLogP2.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(2-methylbut-3-enyl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(2-methylbut-3-enyl)carbamate (CID 59650917) is tert-butyl N-methyl-N-(2-methylbut-3-enyl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(2-methylbut-3-enyl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(2-methylbut-3-enyl)carbamate is C=CC(C)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-(2-methylbut-3-enyl)carbamate?
The InChIKey is XRHXLPPAJQISIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-7-9(2)8-12(6)10(13)14-11(3,4)5/h7,9H,1,8H2,2-6H3.
What are the key properties of tert-butyl N-methyl-N-(2-methylbut-3-enyl)carbamate?
tert-butyl N-methyl-N-(2-methylbut-3-enyl)carbamate has a molecular weight of 199.29 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(2-methylbut-3-enyl)carbamate is sourced from PubChem (CID 59650917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).