3-[(4-morpholin-4-ylphenyl)methylamino]pentanenitrile

C16H23N3O — CID 62645694

IUPAC3-[(4-morpholin-4-ylphenyl)methylamino]pentanenitrile
SMILESCCC(CC#N)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H23N3O/c1-2-15(7-8-17)18-13-14-3-5-16(6-4-14)19-9-11-20-12-10-19/h3-6,15,18H,2,7,9-13H2,1H3
InChIKeyLKRCXUUWOVIESS-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.31
Rot. Bonds6

About 3-[(4-morpholin-4-ylphenyl)methylamino]pentanenitrile

3-[(4-morpholin-4-ylphenyl)methylamino]pentanenitrile (PubChem CID 62645694) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[(4-morpholin-4-ylphenyl)methylamino]pentanenitrile.

Molecular Properties

Compound Name3-[(4-morpholin-4-ylphenyl)methylamino]pentanenitrile
PubChem CID62645694
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-[(4-morpholin-4-ylphenyl)methylamino]pentanenitrile
SMILESCCC(CC#N)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H23N3O/c1-2-15(7-8-17)18-13-14-3-5-16(6-4-14)19-9-11-20-12-10-19/h3-6,15,18H,2,7,9-13H2,1H3
InChIKeyLKRCXUUWOVIESS-UHFFFAOYSA-N
XLogP2.31
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-[(4-pyrrolidin-1-ylphenyl)methylamino]pentanenitrile
CID 62648370
3-(4-morpholin-4-ylanilino)pentanenitrile
CID 63179847
4-[[[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]amino]methyl]benzonitrile
CID 95586172
4-[[1-(4-morpholin-4-ylphenyl)ethylamino]methyl]benzonitrile;hydrochloride
CID 48634323
(2R)-2-[(4-morpholin-4-ylphenyl)methylamino]propan-1-ol
CID 93082442
2-methyl-3-[(4-morpholin-4-ylphenyl)methylamino]propanenitrile
CID 55101596
4-(4-ethylphenyl)morpholine
CID 20576442
4-methyl-3-[(4-morpholin-4-ylphenyl)methylamino]pentan-1-ol
CID 103700842
1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine
CID 63988276
3-(naphthalen-2-ylmethylamino)pentanenitrile
CID 55101550
(1R)-1-(furan-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine
CID 81391853
N-[(4-morpholin-4-ylphenyl)methyl]but-2-yn-1-amine
CID 113342036

Frequently Asked Questions

What is the IUPAC name of 3-[(4-morpholin-4-ylphenyl)methylamino]pentanenitrile?
The IUPAC name of 3-[(4-morpholin-4-ylphenyl)methylamino]pentanenitrile (CID 62645694) is 3-[(4-morpholin-4-ylphenyl)methylamino]pentanenitrile.
What is the SMILES notation for 3-[(4-morpholin-4-ylphenyl)methylamino]pentanenitrile?
The canonical SMILES for 3-[(4-morpholin-4-ylphenyl)methylamino]pentanenitrile is CCC(CC#N)NCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3-[(4-morpholin-4-ylphenyl)methylamino]pentanenitrile?
The InChIKey is LKRCXUUWOVIESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-15(7-8-17)18-13-14-3-5-16(6-4-14)19-9-11-20-12-10-19/h3-6,15,18H,2,7,9-13H2,1H3.
What are the key properties of 3-[(4-morpholin-4-ylphenyl)methylamino]pentanenitrile?
3-[(4-morpholin-4-ylphenyl)methylamino]pentanenitrile has a molecular weight of 273.38 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-morpholin-4-ylphenyl)methylamino]pentanenitrile is sourced from PubChem (CID 62645694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).