2-cyclopropyl-3-(3,3-dimethylmorpholin-4-yl)-2-(ethylamino)propanenitrile

C14H25N3O — CID 63913775

IUPAC2-cyclopropyl-3-(3,3-dimethylmorpholin-4-yl)-2-(ethylamino)propanenitrile
SMILESCCNC(C#N)(CN1CCOCC1(C)C)C1CC1
InChIInChI=1S/C14H25N3O/c1-4-16-14(9-15,12-5-6-12)10-17-7-8-18-11-13(17,2)3/h12,16H,4-8,10-11H2,1-3H3
InChIKeyKLXIWSRELVHAPZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.38
Rot. Bonds5

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

2-cyclopropyl-3-(3,3-dimethylmorpholin-4-yl)-2-(ethylamino)propanenitrile (PubChem CID 63913775) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3,3-dimethylmorpholin-4-yl)-2-(ethylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(3,3-dimethylmorpholin-4-yl)-2-(ethylamino)propanenitrile
PubChem CID63913775
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-cyclopropyl-3-(3,3-dimethylmorpholin-4-yl)-2-(ethylamino)propanenitrile
SMILESCCNC(C#N)(CN1CCOCC1(C)C)C1CC1
InChIInChI=1S/C14H25N3O/c1-4-16-14(9-15,12-5-6-12)10-17-7-8-18-11-13(17,2)3/h12,16H,4-8,10-11H2,1-3H3
InChIKeyKLXIWSRELVHAPZ-UHFFFAOYSA-N
XLogP1.38
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)propanenitrile
CID 63912507
2-cyclopropyl-3-(4,4-dimethylazepan-1-yl)-2-(ethylamino)propanenitrile
CID 65282324
2-cyclopropyl-3-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)propanenitrile
CID 63912068
3-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropyl-2-(ethylamino)propanenitrile
CID 63913794
1-(3,3-dimethylmorpholin-4-yl)-N,2-dimethylpropan-2-amine
CID 62846220
2-cyclopropyl-2-(methylamino)-3-morpholin-4-ylpropanenitrile
CID 63914583
2-[(3,3-dimethylmorpholin-4-yl)methyl]-N,2-dimethylbutan-1-amine
CID 62259652
2-[(3,3-dimethylmorpholin-4-yl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 62261199
4-(cyclobutylmethyl)-3,3-dimethylmorpholine
CID 127377423
5-(3,3-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile
CID 106803300
3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propanenitrile
CID 63907728
2-cyclopropyl-2-(propylamino)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanenitrile
CID 102745431

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3,3-dimethylmorpholin-4-yl)-2-(ethylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(3,3-dimethylmorpholin-4-yl)-2-(ethylamino)propanenitrile (CID 63913775) is 2-cyclopropyl-3-(3,3-dimethylmorpholin-4-yl)-2-(ethylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(3,3-dimethylmorpholin-4-yl)-2-(ethylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(3,3-dimethylmorpholin-4-yl)-2-(ethylamino)propanenitrile is CCNC(C#N)(CN1CCOCC1(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(3,3-dimethylmorpholin-4-yl)-2-(ethylamino)propanenitrile?
The InChIKey is KLXIWSRELVHAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-16-14(9-15,12-5-6-12)10-17-7-8-18-11-13(17,2)3/h12,16H,4-8,10-11H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(3,3-dimethylmorpholin-4-yl)-2-(ethylamino)propanenitrile?
2-cyclopropyl-3-(3,3-dimethylmorpholin-4-yl)-2-(ethylamino)propanenitrile has a molecular weight of 251.37 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(3,3-dimethylmorpholin-4-yl)-2-(ethylamino)propanenitrile is sourced from PubChem (CID 63913775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).