ethyl N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate

C13H22N2O2 — CID 68631114

IUPACethyl N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate
SMILESCCOC(=O)NC1CC2CCC(C1)N2C1CC1
InChIInChI=1S/C13H22N2O2/c1-2-17-13(16)14-9-7-11-5-6-12(8-9)15(11)10-3-4-10/h9-12H,2-8H2,1H3,(H,14,16)
InChIKeyYWAMLIBZHYCCSC-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.89
Rot. Bonds3

About ethyl N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate

ethyl N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate (PubChem CID 68631114) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is ethyl N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate
PubChem CID68631114
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Nameethyl N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate
SMILESCCOC(=O)NC1CC2CCC(C1)N2C1CC1
InChIInChI=1S/C13H22N2O2/c1-2-17-13(16)14-9-7-11-5-6-12(8-9)15(11)10-3-4-10/h9-12H,2-8H2,1H3,(H,14,16)
InChIKeyYWAMLIBZHYCCSC-UHFFFAOYSA-N
XLogP1.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate?
The IUPAC name of ethyl N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate (CID 68631114) is ethyl N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate.
What is the SMILES notation for ethyl N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate?
The canonical SMILES for ethyl N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate is CCOC(=O)NC1CC2CCC(C1)N2C1CC1.
What is the InChIKey of ethyl N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate?
The InChIKey is YWAMLIBZHYCCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-17-13(16)14-9-7-11-5-6-12(8-9)15(11)10-3-4-10/h9-12H,2-8H2,1H3,(H,14,16).
What are the key properties of ethyl N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate?
ethyl N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate has a molecular weight of 238.33 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate is sourced from PubChem (CID 68631114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).