2-(2-propan-2-yloxyethyl)-7-oxabicyclo[2.2.1]heptan-2-amine

C11H21NO2 — CID 65419437

IUPAC2-(2-propan-2-yloxyethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCC(C)OCCC1(N)CC2CCC1O2
InChIInChI=1S/C11H21NO2/c1-8(2)13-6-5-11(12)7-9-3-4-10(11)14-9/h8-10H,3-7,12H2,1-2H3
InChIKeyYYRJEKSGVGHDEO-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.45
Rot. Bonds4

About 2-(2-propan-2-yloxyethyl)-7-oxabicyclo[2.2.1]heptan-2-amine

2-(2-propan-2-yloxyethyl)-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 65419437) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(2-propan-2-yloxyethyl)-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name2-(2-propan-2-yloxyethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID65419437
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(2-propan-2-yloxyethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCC(C)OCCC1(N)CC2CCC1O2
InChIInChI=1S/C11H21NO2/c1-8(2)13-6-5-11(12)7-9-3-4-10(11)14-9/h8-10H,3-7,12H2,1-2H3
InChIKeyYYRJEKSGVGHDEO-UHFFFAOYSA-N
XLogP1.45
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yloxyethyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 2-(2-propan-2-yloxyethyl)-7-oxabicyclo[2.2.1]heptan-2-amine (CID 65419437) is 2-(2-propan-2-yloxyethyl)-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 2-(2-propan-2-yloxyethyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 2-(2-propan-2-yloxyethyl)-7-oxabicyclo[2.2.1]heptan-2-amine is CC(C)OCCC1(N)CC2CCC1O2.
What is the InChIKey of 2-(2-propan-2-yloxyethyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is YYRJEKSGVGHDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)13-6-5-11(12)7-9-3-4-10(11)14-9/h8-10H,3-7,12H2,1-2H3.
What are the key properties of 2-(2-propan-2-yloxyethyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
2-(2-propan-2-yloxyethyl)-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 199.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yloxyethyl)-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 65419437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).