tert-butyl N-cyclopropyl-N-propylcarbamate

C11H21NO2 — CID 63789745

IUPACtert-butyl N-cyclopropyl-N-propylcarbamate
SMILESCCCN(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C11H21NO2/c1-5-8-12(9-6-7-9)10(13)14-11(2,3)4/h9H,5-8H2,1-4H3
InChIKeyDFRIHICYWVGTHW-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.80
Rot. Bonds3

About tert-butyl N-cyclopropyl-N-propylcarbamate

tert-butyl N-cyclopropyl-N-propylcarbamate (PubChem CID 63789745) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-propylcarbamate
PubChem CID63789745
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametert-butyl N-cyclopropyl-N-propylcarbamate
SMILESCCCN(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C11H21NO2/c1-5-8-12(9-6-7-9)10(13)14-11(2,3)4/h9H,5-8H2,1-4H3
InChIKeyDFRIHICYWVGTHW-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-propylcarbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-propylcarbamate (CID 63789745) is tert-butyl N-cyclopropyl-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-propylcarbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-propylcarbamate is CCCN(C(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-cyclopropyl-N-propylcarbamate?
The InChIKey is DFRIHICYWVGTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-8-12(9-6-7-9)10(13)14-11(2,3)4/h9H,5-8H2,1-4H3.
What are the key properties of tert-butyl N-cyclopropyl-N-propylcarbamate?
tert-butyl N-cyclopropyl-N-propylcarbamate has a molecular weight of 199.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropyl-N-propylcarbamate is sourced from PubChem (CID 63789745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).