2-methyl-3-(4-morpholin-4-ylanilino)propanenitrile

C14H19N3O — CID 55025369

IUPAC2-methyl-3-(4-morpholin-4-ylanilino)propanenitrile
SMILESCC(C#N)CNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H19N3O/c1-12(10-15)11-16-13-2-4-14(5-3-13)17-6-8-18-9-7-17/h2-5,12,16H,6-9,11H2,1H3
InChIKeyDENIUZVLFVDAED-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.09
Rot. Bonds4

About 2-methyl-3-(4-morpholin-4-ylanilino)propanenitrile

2-methyl-3-(4-morpholin-4-ylanilino)propanenitrile (PubChem CID 55025369) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-methyl-3-(4-morpholin-4-ylanilino)propanenitrile.

Molecular Properties

Compound Name2-methyl-3-(4-morpholin-4-ylanilino)propanenitrile
PubChem CID55025369
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-methyl-3-(4-morpholin-4-ylanilino)propanenitrile
SMILESCC(C#N)CNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H19N3O/c1-12(10-15)11-16-13-2-4-14(5-3-13)17-6-8-18-9-7-17/h2-5,12,16H,6-9,11H2,1H3
InChIKeyDENIUZVLFVDAED-UHFFFAOYSA-N
XLogP2.09
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-[(4-morpholin-4-ylphenyl)methylamino]propanenitrile
CID 55101596
N-(3-methylbutyl)-4-morpholin-4-ylaniline
CID 28675688
5-(4-morpholin-4-ylanilino)pentanenitrile
CID 63172451
N-(2,2-diethoxyethyl)-4-morpholin-4-ylaniline
CID 81093843
N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline
CID 20785895
1,1,1-trifluoro-3-(4-morpholin-4-ylanilino)propan-2-ol
CID 63899235
4-morpholin-4-yl-N-(2-propan-2-yloxyethyl)aniline
CID 55025471
2,3-dimethyl-1-(4-morpholin-4-ylanilino)butan-2-ol
CID 114493123
2-(4-morpholin-4-ylanilino)-N-propan-2-ylacetamide
CID 60647079
3-(4-morpholin-4-ylanilino)pentanenitrile
CID 63179847
N-(cyanomethyl)-2-(4-morpholin-4-ylanilino)acetamide
CID 63180100
N-butyl-4-morpholin-4-ylaniline
CID 28675754

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-morpholin-4-ylanilino)propanenitrile?
The IUPAC name of 2-methyl-3-(4-morpholin-4-ylanilino)propanenitrile (CID 55025369) is 2-methyl-3-(4-morpholin-4-ylanilino)propanenitrile.
What is the SMILES notation for 2-methyl-3-(4-morpholin-4-ylanilino)propanenitrile?
The canonical SMILES for 2-methyl-3-(4-morpholin-4-ylanilino)propanenitrile is CC(C#N)CNc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-methyl-3-(4-morpholin-4-ylanilino)propanenitrile?
The InChIKey is DENIUZVLFVDAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-12(10-15)11-16-13-2-4-14(5-3-13)17-6-8-18-9-7-17/h2-5,12,16H,6-9,11H2,1H3.
What are the key properties of 2-methyl-3-(4-morpholin-4-ylanilino)propanenitrile?
2-methyl-3-(4-morpholin-4-ylanilino)propanenitrile has a molecular weight of 245.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-morpholin-4-ylanilino)propanenitrile is sourced from PubChem (CID 55025369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).