2-(3-azabicyclo[3.1.0]hexan-6-yl)ethyl N-tert-butylcarbamate

C12H22N2O2 — CID 90924867

IUPAC2-(3-azabicyclo[3.1.0]hexan-6-yl)ethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCC1C2CNCC12
InChIInChI=1S/C12H22N2O2/c1-12(2,3)14-11(15)16-5-4-8-9-6-13-7-10(8)9/h8-10,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyNGAIBMSJRJAMJC-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.37
Rot. Bonds3

About 2-(3-azabicyclo[3.1.0]hexan-6-yl)ethyl N-tert-butylcarbamate

2-(3-azabicyclo[3.1.0]hexan-6-yl)ethyl N-tert-butylcarbamate (PubChem CID 90924867) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(3-azabicyclo[3.1.0]hexan-6-yl)ethyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-(3-azabicyclo[3.1.0]hexan-6-yl)ethyl N-tert-butylcarbamate
PubChem CID90924867
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(3-azabicyclo[3.1.0]hexan-6-yl)ethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCC1C2CNCC12
InChIInChI=1S/C12H22N2O2/c1-12(2,3)14-11(15)16-5-4-8-9-6-13-7-10(8)9/h8-10,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyNGAIBMSJRJAMJC-UHFFFAOYSA-N
XLogP1.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-azabicyclo[3.1.0]hexan-6-yl)ethyl N-tert-butylcarbamate?
The IUPAC name of 2-(3-azabicyclo[3.1.0]hexan-6-yl)ethyl N-tert-butylcarbamate (CID 90924867) is 2-(3-azabicyclo[3.1.0]hexan-6-yl)ethyl N-tert-butylcarbamate.
What is the SMILES notation for 2-(3-azabicyclo[3.1.0]hexan-6-yl)ethyl N-tert-butylcarbamate?
The canonical SMILES for 2-(3-azabicyclo[3.1.0]hexan-6-yl)ethyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCCC1C2CNCC12.
What is the InChIKey of 2-(3-azabicyclo[3.1.0]hexan-6-yl)ethyl N-tert-butylcarbamate?
The InChIKey is NGAIBMSJRJAMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2,3)14-11(15)16-5-4-8-9-6-13-7-10(8)9/h8-10,13H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-(3-azabicyclo[3.1.0]hexan-6-yl)ethyl N-tert-butylcarbamate?
2-(3-azabicyclo[3.1.0]hexan-6-yl)ethyl N-tert-butylcarbamate has a molecular weight of 226.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azabicyclo[3.1.0]hexan-6-yl)ethyl N-tert-butylcarbamate is sourced from PubChem (CID 90924867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).