(2,4-diaminophenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone

C13H19N3O — CID 63215793

IUPAC(2,4-diaminophenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone
SMILESCC1(C)CCCN1C(=O)c1ccc(N)cc1N
InChIInChI=1S/C13H19N3O/c1-13(2)6-3-7-16(13)12(17)10-5-4-9(14)8-11(10)15/h4-5,8H,3,6-7,14-15H2,1-2H3
InChIKeyNUPMBYMHIQXOBY-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.87
Rot. Bonds1

About (2,4-diaminophenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone

(2,4-diaminophenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone (PubChem CID 63215793) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (2,4-diaminophenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-diaminophenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone
PubChem CID63215793
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(2,4-diaminophenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone
SMILESCC1(C)CCCN1C(=O)c1ccc(N)cc1N
InChIInChI=1S/C13H19N3O/c1-13(2)6-3-7-16(13)12(17)10-5-4-9(14)8-11(10)15/h4-5,8H,3,6-7,14-15H2,1-2H3
InChIKeyNUPMBYMHIQXOBY-UHFFFAOYSA-N
XLogP1.87
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,4-diaminophenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone 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

(5-amino-2-methylphenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 63216056
(2,4-diaminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62935991
(2,4-diaminophenyl)-pyrrolidin-1-ylmethanone
CID 61091444
(2,2-dimethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone
CID 112702642
2-(4-aminophenyl)-1-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 80556937
(2,2-dimethylpyrrolidin-1-yl)-(2-hydrazinylphenyl)methanone
CID 63218887
(2,2-dimethylpyrrolidin-1-yl)-[2-methyl-4-(methylamino)phenyl]methanone
CID 113400210
(4-bromo-2-methoxyphenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 113296065
(2,4-diaminophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102742669
1-(5-amino-2-bromobenzoyl)-2-methylpyrrolidine-2-carboxylic acid
CID 115297368
(2,2-dimethylpyrrolidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 63217932
1-[2-amino-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanone
CID 104528829

Frequently Asked Questions

What is the IUPAC name of (2,4-diaminophenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of (2,4-diaminophenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone (CID 63215793) is (2,4-diaminophenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2,4-diaminophenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2,4-diaminophenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone is CC1(C)CCCN1C(=O)c1ccc(N)cc1N.
What is the InChIKey of (2,4-diaminophenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is NUPMBYMHIQXOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(2)6-3-7-16(13)12(17)10-5-4-9(14)8-11(10)15/h4-5,8H,3,6-7,14-15H2,1-2H3.
What are the key properties of (2,4-diaminophenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone?
(2,4-diaminophenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 233.31 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diaminophenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 63215793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).