2-amino-2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propanenitrile

C12H21N3O — CID 63913745

IUPAC2-amino-2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propanenitrile
SMILESCC1CN(CC(N)(C#N)C2CC2)C(C)CO1
InChIInChI=1S/C12H21N3O/c1-9-6-16-10(2)5-15(9)8-12(14,7-13)11-3-4-11/h9-11H,3-6,8,14H2,1-2H3
InChIKeyQJJPJCBUPHZVKL-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.73
Rot. Bonds3

About 2-amino-2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propanenitrile

2-amino-2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propanenitrile (PubChem CID 63913745) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propanenitrile.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propanenitrile
PubChem CID63913745
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-amino-2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propanenitrile
SMILESCC1CN(CC(N)(C#N)C2CC2)C(C)CO1
InChIInChI=1S/C12H21N3O/c1-9-6-16-10(2)5-15(9)8-12(14,7-13)11-3-4-11/h9-11H,3-6,8,14H2,1-2H3
InChIKeyQJJPJCBUPHZVKL-UHFFFAOYSA-N
XLogP0.73
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propanenitrile?
The IUPAC name of 2-amino-2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propanenitrile (CID 63913745) is 2-amino-2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propanenitrile.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propanenitrile?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propanenitrile is CC1CN(CC(N)(C#N)C2CC2)C(C)CO1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propanenitrile?
The InChIKey is QJJPJCBUPHZVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-6-16-10(2)5-15(9)8-12(14,7-13)11-3-4-11/h9-11H,3-6,8,14H2,1-2H3.
What are the key properties of 2-amino-2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propanenitrile?
2-amino-2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propanenitrile has a molecular weight of 223.32 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propanenitrile is sourced from PubChem (CID 63913745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).