(1-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl carbamate

C11H20N2O2 — CID 68716486

IUPAC(1-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl carbamate
SMILESCC(C)(C)C12CNCC1C2COC(N)=O
InChIInChI=1S/C11H20N2O2/c1-10(2,3)11-6-13-4-7(11)8(11)5-15-9(12)14/h7-8,13H,4-6H2,1-3H3,(H2,12,14)
InChIKeyZKHHELRFWIESMF-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.96
Rot. Bonds2

About (1-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl carbamate

(1-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl carbamate (PubChem CID 68716486) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (1-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl carbamate.

Molecular Properties

Compound Name(1-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl carbamate
PubChem CID68716486
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(1-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl carbamate
SMILESCC(C)(C)C12CNCC1C2COC(N)=O
InChIInChI=1S/C11H20N2O2/c1-10(2,3)11-6-13-4-7(11)8(11)5-15-9(12)14/h7-8,13H,4-6H2,1-3H3,(H2,12,14)
InChIKeyZKHHELRFWIESMF-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-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl carbamate?
The IUPAC name of (1-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl carbamate (CID 68716486) is (1-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl carbamate.
What is the SMILES notation for (1-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl carbamate?
The canonical SMILES for (1-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl carbamate is CC(C)(C)C12CNCC1C2COC(N)=O.
What is the InChIKey of (1-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl carbamate?
The InChIKey is ZKHHELRFWIESMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-10(2,3)11-6-13-4-7(11)8(11)5-15-9(12)14/h7-8,13H,4-6H2,1-3H3,(H2,12,14).
What are the key properties of (1-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl carbamate?
(1-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl 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-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl carbamate is sourced from PubChem (CID 68716486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).