2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzamide

C12H20N4O — CID 82950580

IUPAC2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzamide
SMILESCC(CN(C)C)Nc1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C12H20N4O/c1-8(7-16(2)3)15-9-4-5-11(13)10(6-9)12(14)17/h4-6,8,15H,7,13H2,1-3H3,(H2,14,17)
InChIKeyQWAIGIFESPTQHG-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.73
Rot. Bonds5

About 2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzamide

2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzamide (PubChem CID 82950580) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzamide.

Molecular Properties

Compound Name2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzamide
PubChem CID82950580
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzamide
SMILESCC(CN(C)C)Nc1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C12H20N4O/c1-8(7-16(2)3)15-9-4-5-11(13)10(6-9)12(14)17/h4-6,8,15H,7,13H2,1-3H3,(H2,14,17)
InChIKeyQWAIGIFESPTQHG-UHFFFAOYSA-N
XLogP0.73
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-(5-methylhexan-2-ylamino)benzamide
CID 63925139
2-amino-5-(3,3-dimethylbutan-2-ylamino)benzamide
CID 104829686
2-amino-5-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]benzamide
CID 114176569
2-amino-5-(1-thiophen-3-ylpropan-2-ylamino)benzamide
CID 61475795
1-[2-amino-5-(butan-2-ylamino)phenyl]ethanone
CID 104612184
5-[1-(dimethylamino)propan-2-ylamino]-2-(trifluoromethyl)benzoic acid
CID 82950080
2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzonitrile
CID 82944887
1-[2-amino-4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]phenyl]ethanone
CID 104528581
2-amino-5-(2-methylsulfonylethylamino)benzamide
CID 61312641
5-(2-acetamidoethylamino)-2-aminobenzamide
CID 61306771
2-amino-5-[1-(oxan-4-yl)ethylamino]benzamide
CID 114115332
1-[4-[1-(dimethylamino)propan-2-ylamino]phenyl]ethanone
CID 114468361

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzamide?
The IUPAC name of 2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzamide (CID 82950580) is 2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzamide.
What is the SMILES notation for 2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzamide?
The canonical SMILES for 2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzamide is CC(CN(C)C)Nc1ccc(N)c(C(N)=O)c1.
What is the InChIKey of 2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzamide?
The InChIKey is QWAIGIFESPTQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8(7-16(2)3)15-9-4-5-11(13)10(6-9)12(14)17/h4-6,8,15H,7,13H2,1-3H3,(H2,14,17).
What are the key properties of 2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzamide?
2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzamide has a molecular weight of 236.32 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzamide is sourced from PubChem (CID 82950580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).