[1-(3-azabicyclo[3.1.0]hexan-6-yl)-2,2-dimethylpropyl] carbamate

C11H20N2O2 — CID 68716484

IUPAC[1-(3-azabicyclo[3.1.0]hexan-6-yl)-2,2-dimethylpropyl] carbamate
SMILESCC(C)(C)C(OC(N)=O)C1C2CNCC21
InChIInChI=1S/C11H20N2O2/c1-11(2,3)9(15-10(12)14)8-6-4-13-5-7(6)8/h6-9,13H,4-5H2,1-3H3,(H2,12,14)
InChIKeyCRPRACVVLLTENG-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.96
Rot. Bonds2

About [1-(3-azabicyclo[3.1.0]hexan-6-yl)-2,2-dimethylpropyl] carbamate

[1-(3-azabicyclo[3.1.0]hexan-6-yl)-2,2-dimethylpropyl] carbamate (PubChem CID 68716484) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is [1-(3-azabicyclo[3.1.0]hexan-6-yl)-2,2-dimethylpropyl] carbamate.

Molecular Properties

Compound Name[1-(3-azabicyclo[3.1.0]hexan-6-yl)-2,2-dimethylpropyl] carbamate
PubChem CID68716484
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name[1-(3-azabicyclo[3.1.0]hexan-6-yl)-2,2-dimethylpropyl] carbamate
SMILESCC(C)(C)C(OC(N)=O)C1C2CNCC21
InChIInChI=1S/C11H20N2O2/c1-11(2,3)9(15-10(12)14)8-6-4-13-5-7(6)8/h6-9,13H,4-5H2,1-3H3,(H2,12,14)
InChIKeyCRPRACVVLLTENG-UHFFFAOYSA-N
XLogP0.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-azabicyclo[3.1.0]hexan-6-yl)-2,2-dimethylpropyl] carbamate?
The IUPAC name of [1-(3-azabicyclo[3.1.0]hexan-6-yl)-2,2-dimethylpropyl] carbamate (CID 68716484) is [1-(3-azabicyclo[3.1.0]hexan-6-yl)-2,2-dimethylpropyl] carbamate.
What is the SMILES notation for [1-(3-azabicyclo[3.1.0]hexan-6-yl)-2,2-dimethylpropyl] carbamate?
The canonical SMILES for [1-(3-azabicyclo[3.1.0]hexan-6-yl)-2,2-dimethylpropyl] carbamate is CC(C)(C)C(OC(N)=O)C1C2CNCC21.
What is the InChIKey of [1-(3-azabicyclo[3.1.0]hexan-6-yl)-2,2-dimethylpropyl] carbamate?
The InChIKey is CRPRACVVLLTENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2,3)9(15-10(12)14)8-6-4-13-5-7(6)8/h6-9,13H,4-5H2,1-3H3,(H2,12,14).
What are the key properties of [1-(3-azabicyclo[3.1.0]hexan-6-yl)-2,2-dimethylpropyl] carbamate?
[1-(3-azabicyclo[3.1.0]hexan-6-yl)-2,2-dimethylpropyl] carbamate has a molecular weight of 212.29 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-azabicyclo[3.1.0]hexan-6-yl)-2,2-dimethylpropyl] carbamate is sourced from PubChem (CID 68716484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).