2-amino-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanenitrile

C11H19N3O — CID 66370572

IUPAC2-amino-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanenitrile
SMILESCC(N)(C#N)CCN1CC2CCC(C1)O2
InChIInChI=1S/C11H19N3O/c1-11(13,8-12)4-5-14-6-9-2-3-10(7-14)15-9/h9-10H,2-7,13H2,1H3
InChIKeyDBBDIKDXBFDIHN-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.48
Rot. Bonds3

About 2-amino-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanenitrile

2-amino-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanenitrile (PubChem CID 66370572) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanenitrile
PubChem CID66370572
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-amino-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanenitrile
SMILESCC(N)(C#N)CCN1CC2CCC(C1)O2
InChIInChI=1S/C11H19N3O/c1-11(13,8-12)4-5-14-6-9-2-3-10(7-14)15-9/h9-10H,2-7,13H2,1H3
InChIKeyDBBDIKDXBFDIHN-UHFFFAOYSA-N
XLogP0.48
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanenitrile?
The IUPAC name of 2-amino-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanenitrile (CID 66370572) is 2-amino-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanenitrile.
What is the SMILES notation for 2-amino-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanenitrile?
The canonical SMILES for 2-amino-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanenitrile is CC(N)(C#N)CCN1CC2CCC(C1)O2.
What is the InChIKey of 2-amino-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanenitrile?
The InChIKey is DBBDIKDXBFDIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(13,8-12)4-5-14-6-9-2-3-10(7-14)15-9/h9-10H,2-7,13H2,1H3.
What are the key properties of 2-amino-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanenitrile?
2-amino-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanenitrile has a molecular weight of 209.29 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanenitrile is sourced from PubChem (CID 66370572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).