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

C14H20N4O — CID 104716278

IUPAC2-amino-3-(3-morpholin-4-ylpropylamino)benzonitrile
SMILESN#Cc1cccc(NCCCN2CCOCC2)c1N
InChIInChI=1S/C14H20N4O/c15-11-12-3-1-4-13(14(12)16)17-5-2-6-18-7-9-19-10-8-18/h1,3-4,17H,2,5-10,16H2
InChIKeyAVZKDFUQMFJFMH-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.27
Rot. Bonds5

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

2-amino-3-(3-morpholin-4-ylpropylamino)benzonitrile (PubChem CID 104716278) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-amino-3-(3-morpholin-4-ylpropylamino)benzonitrile.

Molecular Properties

Compound Name2-amino-3-(3-morpholin-4-ylpropylamino)benzonitrile
PubChem CID104716278
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-amino-3-(3-morpholin-4-ylpropylamino)benzonitrile
SMILESN#Cc1cccc(NCCCN2CCOCC2)c1N
InChIInChI=1S/C14H20N4O/c15-11-12-3-1-4-13(14(12)16)17-5-2-6-18-7-9-19-10-8-18/h1,3-4,17H,2,5-10,16H2
InChIKeyAVZKDFUQMFJFMH-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'}

Analyze 2-amino-3-(3-morpholin-4-ylpropylamino)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-(2-pyrrolidin-1-ylethylamino)benzonitrile
CID 104716677
3-methyl-2-(3-morpholin-4-ylpropylamino)benzonitrile
CID 107106445
2-amino-3-(3-morpholin-4-ylpropoxy)benzonitrile
CID 174668290
2-amino-5-(3-morpholin-4-ylpropylamino)benzonitrile
CID 115499071
5-methyl-2-(3-morpholin-4-ylpropylamino)benzonitrile
CID 107927013
2-(3-pyrrolidin-1-ylpropylamino)benzonitrile
CID 23324083
methyl 2-amino-3-(3-morpholin-4-ylpropylamino)benzoate
CID 115544710
2-amino-3-(3-methylsulfonylpropylamino)benzonitrile
CID 113444736
4-amino-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile
CID 146673965
4-methyl-3-N-(3-morpholin-4-ylpropyl)benzene-1,3-diamine
CID 55091459
2-amino-3-(3-methylsulfanylpropylamino)benzonitrile
CID 104716786
3-methyl-2-(2-morpholin-4-ylethylamino)benzonitrile
CID 107106367

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-morpholin-4-ylpropylamino)benzonitrile?
The IUPAC name of 2-amino-3-(3-morpholin-4-ylpropylamino)benzonitrile (CID 104716278) is 2-amino-3-(3-morpholin-4-ylpropylamino)benzonitrile.
What is the SMILES notation for 2-amino-3-(3-morpholin-4-ylpropylamino)benzonitrile?
The canonical SMILES for 2-amino-3-(3-morpholin-4-ylpropylamino)benzonitrile is N#Cc1cccc(NCCCN2CCOCC2)c1N.
What is the InChIKey of 2-amino-3-(3-morpholin-4-ylpropylamino)benzonitrile?
The InChIKey is AVZKDFUQMFJFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c15-11-12-3-1-4-13(14(12)16)17-5-2-6-18-7-9-19-10-8-18/h1,3-4,17H,2,5-10,16H2.
What are the key properties of 2-amino-3-(3-morpholin-4-ylpropylamino)benzonitrile?
2-amino-3-(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-3-(3-morpholin-4-ylpropylamino)benzonitrile is sourced from PubChem (CID 104716278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).