5-(4-morpholin-4-ylanilino)pentanenitrile

C15H21N3O — CID 63172451

IUPAC5-(4-morpholin-4-ylanilino)pentanenitrile
SMILESN#CCCCCNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H21N3O/c16-8-2-1-3-9-17-14-4-6-15(7-5-14)18-10-12-19-13-11-18/h4-7,17H,1-3,9-13H2
InChIKeyQTCNOFPCDQMHCN-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.63
Rot. Bonds6

About 5-(4-morpholin-4-ylanilino)pentanenitrile

5-(4-morpholin-4-ylanilino)pentanenitrile (PubChem CID 63172451) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-(4-morpholin-4-ylanilino)pentanenitrile.

Molecular Properties

Compound Name5-(4-morpholin-4-ylanilino)pentanenitrile
PubChem CID63172451
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-(4-morpholin-4-ylanilino)pentanenitrile
SMILESN#CCCCCNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H21N3O/c16-8-2-1-3-9-17-14-4-6-15(7-5-14)18-10-12-19-13-11-18/h4-7,17H,1-3,9-13H2
InChIKeyQTCNOFPCDQMHCN-UHFFFAOYSA-N
XLogP2.63
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-piperidin-1-ylanilino)pentanenitrile
CID 63179154
4-morpholin-4-yl-N-pent-4-ynylaniline
CID 113374169
N-butyl-4-morpholin-4-ylaniline
CID 28675754
N-(3-methylbutyl)-4-morpholin-4-ylaniline
CID 28675688
2-methyl-3-(4-morpholin-4-ylanilino)propanenitrile
CID 55025369
N-(3-ethylsulfonylpropyl)-4-morpholin-4-ylaniline
CID 65093375
N'-tert-butyl-N-(4-morpholin-4-ylphenyl)ethane-1,2-diamine
CID 107444694
4-morpholin-4-yl-N-(2-propan-2-yloxyethyl)aniline
CID 55025471
3-(4-morpholin-4-ylanilino)pentanenitrile
CID 63179847
N-(cyanomethyl)-2-(4-morpholin-4-ylanilino)acetamide
CID 63180100
N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylaniline
CID 63180015
1-[(4-morpholin-4-ylanilino)methyl]cyclohexan-1-ol
CID 63180472

Frequently Asked Questions

What is the IUPAC name of 5-(4-morpholin-4-ylanilino)pentanenitrile?
The IUPAC name of 5-(4-morpholin-4-ylanilino)pentanenitrile (CID 63172451) is 5-(4-morpholin-4-ylanilino)pentanenitrile.
What is the SMILES notation for 5-(4-morpholin-4-ylanilino)pentanenitrile?
The canonical SMILES for 5-(4-morpholin-4-ylanilino)pentanenitrile is N#CCCCCNc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 5-(4-morpholin-4-ylanilino)pentanenitrile?
The InChIKey is QTCNOFPCDQMHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c16-8-2-1-3-9-17-14-4-6-15(7-5-14)18-10-12-19-13-11-18/h4-7,17H,1-3,9-13H2.
What are the key properties of 5-(4-morpholin-4-ylanilino)pentanenitrile?
5-(4-morpholin-4-ylanilino)pentanenitrile has a molecular weight of 259.35 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-morpholin-4-ylanilino)pentanenitrile is sourced from PubChem (CID 63172451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).