2-amino-5-(3-morpholin-4-ylpropylamino)benzonitrile

C14H20N4O — CID 115499071

IUPAC2-amino-5-(3-morpholin-4-ylpropylamino)benzonitrile
SMILESN#Cc1cc(NCCCN2CCOCC2)ccc1N
InChIInChI=1S/C14H20N4O/c15-11-12-10-13(2-3-14(12)16)17-4-1-5-18-6-8-19-9-7-18/h2-3,10,17H,1,4-9,16H2
InChIKeyHDKBBTWYWSMGHI-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.27
Rot. Bonds5

About 2-amino-5-(3-morpholin-4-ylpropylamino)benzonitrile

2-amino-5-(3-morpholin-4-ylpropylamino)benzonitrile (PubChem CID 115499071) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-amino-5-(3-morpholin-4-ylpropylamino)benzonitrile.

Molecular Properties

Compound Name2-amino-5-(3-morpholin-4-ylpropylamino)benzonitrile
PubChem CID115499071
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-amino-5-(3-morpholin-4-ylpropylamino)benzonitrile
SMILESN#Cc1cc(NCCCN2CCOCC2)ccc1N
InChIInChI=1S/C14H20N4O/c15-11-12-10-13(2-3-14(12)16)17-4-1-5-18-6-8-19-9-7-18/h2-3,10,17H,1,4-9,16H2
InChIKeyHDKBBTWYWSMGHI-UHFFFAOYSA-N
XLogP1.27
TPSA74.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(3-morpholin-4-ylpropylamino)benzonitrile
CID 104716278
5-(2-morpholin-4-ylethylamino)-2-nitrobenzonitrile
CID 115348699
5-methyl-2-(3-morpholin-4-ylpropylamino)benzonitrile
CID 107927013
2-amino-5-(2-aminoethylamino)benzonitrile
CID 115499405
4-amino-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile
CID 146673965
5-N-(3-morpholin-4-ylpropyl)pyridine-3,5-diamine
CID 113423694
3-methyl-2-(3-morpholin-4-ylpropylamino)benzonitrile
CID 107106445
2-amino-5-(2-hydroxyethylamino)benzonitrile
CID 15827831
2-amino-5-(4-methylpentylamino)benzonitrile
CID 115499455
5-(4-amino-3-cyanoanilino)pentanamide
CID 106234240
5-nitro-2-[3-(1,4-oxazepan-4-yl)propylamino]benzonitrile
CID 139017550
2-amino-5-(2-cyclopropylethylamino)benzonitrile
CID 115499584

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-morpholin-4-ylpropylamino)benzonitrile?
The IUPAC name of 2-amino-5-(3-morpholin-4-ylpropylamino)benzonitrile (CID 115499071) is 2-amino-5-(3-morpholin-4-ylpropylamino)benzonitrile.
What is the SMILES notation for 2-amino-5-(3-morpholin-4-ylpropylamino)benzonitrile?
The canonical SMILES for 2-amino-5-(3-morpholin-4-ylpropylamino)benzonitrile is N#Cc1cc(NCCCN2CCOCC2)ccc1N.
What is the InChIKey of 2-amino-5-(3-morpholin-4-ylpropylamino)benzonitrile?
The InChIKey is HDKBBTWYWSMGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c15-11-12-10-13(2-3-14(12)16)17-4-1-5-18-6-8-19-9-7-18/h2-3,10,17H,1,4-9,16H2.
What are the key properties of 2-amino-5-(3-morpholin-4-ylpropylamino)benzonitrile?
2-amino-5-(3-morpholin-4-ylpropylamino)benzonitrile has a molecular weight of 260.34 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-morpholin-4-ylpropylamino)benzonitrile is sourced from PubChem (CID 115499071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).