2-(2-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl carbamate

C13H24N2O2 — CID 154650741

IUPAC2-(2-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl carbamate
SMILESCCCCC1NCC2C1C2C(C)(C)OC(N)=O
InChIInChI=1S/C13H24N2O2/c1-4-5-6-9-10-8(7-15-9)11(10)13(2,3)17-12(14)16/h8-11,15H,4-7H2,1-3H3,(H2,14,16)
InChIKeyBIORGCHWOXLWBZ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.88
Rot. Bonds5

About 2-(2-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl carbamate

2-(2-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl carbamate (PubChem CID 154650741) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(2-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl carbamate.

Molecular Properties

Compound Name2-(2-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl carbamate
PubChem CID154650741
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(2-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl carbamate
SMILESCCCCC1NCC2C1C2C(C)(C)OC(N)=O
InChIInChI=1S/C13H24N2O2/c1-4-5-6-9-10-8(7-15-9)11(10)13(2,3)17-12(14)16/h8-11,15H,4-7H2,1-3H3,(H2,14,16)
InChIKeyBIORGCHWOXLWBZ-UHFFFAOYSA-N
XLogP1.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl carbamate?
The IUPAC name of 2-(2-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl carbamate (CID 154650741) is 2-(2-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl carbamate.
What is the SMILES notation for 2-(2-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl carbamate?
The canonical SMILES for 2-(2-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl carbamate is CCCCC1NCC2C1C2C(C)(C)OC(N)=O.
What is the InChIKey of 2-(2-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl carbamate?
The InChIKey is BIORGCHWOXLWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-5-6-9-10-8(7-15-9)11(10)13(2,3)17-12(14)16/h8-11,15H,4-7H2,1-3H3,(H2,14,16).
What are the key properties of 2-(2-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl carbamate?
2-(2-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl carbamate has a molecular weight of 240.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butyl-3-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl carbamate is sourced from PubChem (CID 154650741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).