2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(methylamino)propanenitrile

C13H23N3O — CID 63914585

IUPAC2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(methylamino)propanenitrile
SMILESCNC(C#N)(CN1CC(C)OC(C)C1)C1CC1
InChIInChI=1S/C13H23N3O/c1-10-6-16(7-11(2)17-10)9-13(8-14,15-3)12-4-5-12/h10-12,15H,4-7,9H2,1-3H3
InChIKeyNXYGNHKYRYDNRP-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.99
Rot. Bonds4

About 2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(methylamino)propanenitrile

2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(methylamino)propanenitrile (PubChem CID 63914585) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(methylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(methylamino)propanenitrile
PubChem CID63914585
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(methylamino)propanenitrile
SMILESCNC(C#N)(CN1CC(C)OC(C)C1)C1CC1
InChIInChI=1S/C13H23N3O/c1-10-6-16(7-11(2)17-10)9-13(8-14,15-3)12-4-5-12/h10-12,15H,4-7,9H2,1-3H3
InChIKeyNXYGNHKYRYDNRP-UHFFFAOYSA-N
XLogP0.99
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(methylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(methylamino)propanenitrile (CID 63914585) is 2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(methylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(methylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(methylamino)propanenitrile is CNC(C#N)(CN1CC(C)OC(C)C1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(methylamino)propanenitrile?
The InChIKey is NXYGNHKYRYDNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10-6-16(7-11(2)17-10)9-13(8-14,15-3)12-4-5-12/h10-12,15H,4-7,9H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(methylamino)propanenitrile?
2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(methylamino)propanenitrile has a molecular weight of 237.35 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(methylamino)propanenitrile is sourced from PubChem (CID 63914585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).