2-amino-3-[2-(dimethylamino)ethyl-methylamino]benzamide

C12H20N4O — CID 115546160

IUPAC2-amino-3-[2-(dimethylamino)ethyl-methylamino]benzamide
SMILESCN(C)CCN(C)c1cccc(C(N)=O)c1N
InChIInChI=1S/C12H20N4O/c1-15(2)7-8-16(3)10-6-4-5-9(11(10)13)12(14)17/h4-6H,7-8,13H2,1-3H3,(H2,14,17)
InChIKeyAAUKKBBTTZTBCM-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.37
Rot. Bonds5

About 2-amino-3-[2-(dimethylamino)ethyl-methylamino]benzamide

2-amino-3-[2-(dimethylamino)ethyl-methylamino]benzamide (PubChem CID 115546160) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-amino-3-[2-(dimethylamino)ethyl-methylamino]benzamide.

Molecular Properties

Compound Name2-amino-3-[2-(dimethylamino)ethyl-methylamino]benzamide
PubChem CID115546160
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-amino-3-[2-(dimethylamino)ethyl-methylamino]benzamide
SMILESCN(C)CCN(C)c1cccc(C(N)=O)c1N
InChIInChI=1S/C12H20N4O/c1-15(2)7-8-16(3)10-6-4-5-9(11(10)13)12(14)17/h4-6H,7-8,13H2,1-3H3,(H2,14,17)
InChIKeyAAUKKBBTTZTBCM-UHFFFAOYSA-N
XLogP0.37
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-[[2-(diethylamino)-2-oxoethyl]-methylamino]benzamide
CID 115545191
2-amino-3-[benzyl(methyl)amino]benzamide
CID 115544396
2-amino-3-[(2-hydroxy-2-methylpropyl)-methylamino]benzamide
CID 115546523
2-amino-5-bromo-3-[2-(dimethylamino)ethyl-methylamino]benzamide
CID 89070232
2-amino-3-[methyl(thiophen-3-ylmethyl)amino]benzamide
CID 115544836
2-amino-3-[5-hydroxypentyl(methyl)amino]benzoic acid
CID 107203240
2-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 55226951
2-amino-3-[3-methoxypropyl(methyl)amino]benzoic acid
CID 115545998
2-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide
CID 115545560
methyl 2-amino-3-[2-(dimethylamino)ethyl-propylamino]benzoate
CID 115545739
2-amino-3-[cyclopropylmethyl(propyl)amino]benzamide
CID 113332696
2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzamide
CID 141152693

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(dimethylamino)ethyl-methylamino]benzamide?
The IUPAC name of 2-amino-3-[2-(dimethylamino)ethyl-methylamino]benzamide (CID 115546160) is 2-amino-3-[2-(dimethylamino)ethyl-methylamino]benzamide.
What is the SMILES notation for 2-amino-3-[2-(dimethylamino)ethyl-methylamino]benzamide?
The canonical SMILES for 2-amino-3-[2-(dimethylamino)ethyl-methylamino]benzamide is CN(C)CCN(C)c1cccc(C(N)=O)c1N.
What is the InChIKey of 2-amino-3-[2-(dimethylamino)ethyl-methylamino]benzamide?
The InChIKey is AAUKKBBTTZTBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-15(2)7-8-16(3)10-6-4-5-9(11(10)13)12(14)17/h4-6H,7-8,13H2,1-3H3,(H2,14,17).
What are the key properties of 2-amino-3-[2-(dimethylamino)ethyl-methylamino]benzamide?
2-amino-3-[2-(dimethylamino)ethyl-methylamino]benzamide has a molecular weight of 236.32 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(dimethylamino)ethyl-methylamino]benzamide is sourced from PubChem (CID 115546160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).