tert-butyl N-ethyl-N-(1-methylcyclopropyl)carbamate

C11H21NO2 — CID 10013002

IUPACtert-butyl N-ethyl-N-(1-methylcyclopropyl)carbamate
SMILESCCN(C(=O)OC(C)(C)C)C1(C)CC1
InChIInChI=1S/C11H21NO2/c1-6-12(11(5)7-8-11)9(13)14-10(2,3)4/h6-8H2,1-5H3
InChIKeyCMTSCPKOADWVDP-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.80
Rot. Bonds2

About tert-butyl N-ethyl-N-(1-methylcyclopropyl)carbamate

tert-butyl N-ethyl-N-(1-methylcyclopropyl)carbamate (PubChem CID 10013002) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-(1-methylcyclopropyl)carbamate
PubChem CID10013002
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametert-butyl N-ethyl-N-(1-methylcyclopropyl)carbamate
SMILESCCN(C(=O)OC(C)(C)C)C1(C)CC1
InChIInChI=1S/C11H21NO2/c1-6-12(11(5)7-8-11)9(13)14-10(2,3)4/h6-8H2,1-5H3
InChIKeyCMTSCPKOADWVDP-UHFFFAOYSA-N
XLogP2.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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-ethyl-N-(1-methylcyclopropyl)carbamate?
The IUPAC name of tert-butyl N-ethyl-N-(1-methylcyclopropyl)carbamate (CID 10013002) is tert-butyl N-ethyl-N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-(1-methylcyclopropyl)carbamate is CCN(C(=O)OC(C)(C)C)C1(C)CC1.
What is the InChIKey of tert-butyl N-ethyl-N-(1-methylcyclopropyl)carbamate?
The InChIKey is CMTSCPKOADWVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-6-12(11(5)7-8-11)9(13)14-10(2,3)4/h6-8H2,1-5H3.
What are the key properties of tert-butyl N-ethyl-N-(1-methylcyclopropyl)carbamate?
tert-butyl N-ethyl-N-(1-methylcyclopropyl)carbamate has a molecular weight of 199.29 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 10013002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).