2-cyclopropyl-2-(methylamino)-3-morpholin-4-ylpropanenitrile

C11H19N3O — CID 63914583

IUPAC2-cyclopropyl-2-(methylamino)-3-morpholin-4-ylpropanenitrile
SMILESCNC(C#N)(CN1CCOCC1)C1CC1
InChIInChI=1S/C11H19N3O/c1-13-11(8-12,10-2-3-10)9-14-4-6-15-7-5-14/h10,13H,2-7,9H2,1H3
InChIKeyYPPBCOUFHHSLOM-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.21
Rot. Bonds4

About 2-cyclopropyl-2-(methylamino)-3-morpholin-4-ylpropanenitrile

2-cyclopropyl-2-(methylamino)-3-morpholin-4-ylpropanenitrile (PubChem CID 63914583) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)-3-morpholin-4-ylpropanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylamino)-3-morpholin-4-ylpropanenitrile
PubChem CID63914583
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-cyclopropyl-2-(methylamino)-3-morpholin-4-ylpropanenitrile
SMILESCNC(C#N)(CN1CCOCC1)C1CC1
InChIInChI=1S/C11H19N3O/c1-13-11(8-12,10-2-3-10)9-14-4-6-15-7-5-14/h10,13H,2-7,9H2,1H3
InChIKeyYPPBCOUFHHSLOM-UHFFFAOYSA-N
XLogP0.21
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)-3-morpholin-4-ylpropanenitrile?
The IUPAC name of 2-cyclopropyl-2-(methylamino)-3-morpholin-4-ylpropanenitrile (CID 63914583) is 2-cyclopropyl-2-(methylamino)-3-morpholin-4-ylpropanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(methylamino)-3-morpholin-4-ylpropanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(methylamino)-3-morpholin-4-ylpropanenitrile is CNC(C#N)(CN1CCOCC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(methylamino)-3-morpholin-4-ylpropanenitrile?
The InChIKey is YPPBCOUFHHSLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-13-11(8-12,10-2-3-10)9-14-4-6-15-7-5-14/h10,13H,2-7,9H2,1H3.
What are the key properties of 2-cyclopropyl-2-(methylamino)-3-morpholin-4-ylpropanenitrile?
2-cyclopropyl-2-(methylamino)-3-morpholin-4-ylpropanenitrile has a molecular weight of 209.29 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(methylamino)-3-morpholin-4-ylpropanenitrile is sourced from PubChem (CID 63914583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).