4-amino-3-(2,2-dimethylpyrrolidin-1-yl)benzamide

C13H19N3O — CID 63356660

IUPAC4-amino-3-(2,2-dimethylpyrrolidin-1-yl)benzamide
SMILESCC1(C)CCCN1c1cc(C(N)=O)ccc1N
InChIInChI=1S/C13H19N3O/c1-13(2)6-3-7-16(13)11-8-9(12(15)17)4-5-10(11)14/h4-5,8H,3,6-7,14H2,1-2H3,(H2,15,17)
InChIKeyJVCWLIVVBXOVTI-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.75
Rot. Bonds2

About 4-amino-3-(2,2-dimethylpyrrolidin-1-yl)benzamide

4-amino-3-(2,2-dimethylpyrrolidin-1-yl)benzamide (PubChem CID 63356660) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-amino-3-(2,2-dimethylpyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-(2,2-dimethylpyrrolidin-1-yl)benzamide
PubChem CID63356660
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-amino-3-(2,2-dimethylpyrrolidin-1-yl)benzamide
SMILESCC1(C)CCCN1c1cc(C(N)=O)ccc1N
InChIInChI=1S/C13H19N3O/c1-13(2)6-3-7-16(13)11-8-9(12(15)17)4-5-10(11)14/h4-5,8H,3,6-7,14H2,1-2H3,(H2,15,17)
InChIKeyJVCWLIVVBXOVTI-UHFFFAOYSA-N
XLogP1.75
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2,2-dimethylpyrrolidin-1-yl)benzamide?
The IUPAC name of 4-amino-3-(2,2-dimethylpyrrolidin-1-yl)benzamide (CID 63356660) is 4-amino-3-(2,2-dimethylpyrrolidin-1-yl)benzamide.
What is the SMILES notation for 4-amino-3-(2,2-dimethylpyrrolidin-1-yl)benzamide?
The canonical SMILES for 4-amino-3-(2,2-dimethylpyrrolidin-1-yl)benzamide is CC1(C)CCCN1c1cc(C(N)=O)ccc1N.
What is the InChIKey of 4-amino-3-(2,2-dimethylpyrrolidin-1-yl)benzamide?
The InChIKey is JVCWLIVVBXOVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(2)6-3-7-16(13)11-8-9(12(15)17)4-5-10(11)14/h4-5,8H,3,6-7,14H2,1-2H3,(H2,15,17).
What are the key properties of 4-amino-3-(2,2-dimethylpyrrolidin-1-yl)benzamide?
4-amino-3-(2,2-dimethylpyrrolidin-1-yl)benzamide has a molecular weight of 233.31 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2,2-dimethylpyrrolidin-1-yl)benzamide is sourced from PubChem (CID 63356660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).