3,5-diamino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide

C12H20N4O — CID 63694073

IUPAC3,5-diamino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C12H20N4O/c1-15(2)4-5-16(3)12(17)9-6-10(13)8-11(14)7-9/h6-8H,4-5,13-14H2,1-3H3
InChIKeyOLLMIKVLJWPYSJ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.48
Rot. Bonds4

About 3,5-diamino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide

3,5-diamino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide (PubChem CID 63694073) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3,5-diamino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3,5-diamino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
PubChem CID63694073
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3,5-diamino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C12H20N4O/c1-15(2)4-5-16(3)12(17)9-6-10(13)8-11(14)7-9/h6-8H,4-5,13-14H2,1-3H3
InChIKeyOLLMIKVLJWPYSJ-UHFFFAOYSA-N
XLogP0.48
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,5-diamino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide 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

3,5-diamino-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656301
N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-methylbenzamide
CID 104939111
3,5-diamino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide
CID 61116865
3-amino-N-[3-(dimethylamino)propyl]-5-methoxy-N-methylbenzamide
CID 81092304
N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63693984
3,5-diamino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61094798
3,5-diamino-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79384757
2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-4-carboxamide
CID 55226373
3,5-diamino-N-benzyl-N-methylbenzamide
CID 61092300
4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-methylbenzamide
CID 55228481
3-bromo-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzamide
CID 104852714
3-amino-N-methyl-5-methylsulfonyl-N-propylbenzamide
CID 55009971

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
The IUPAC name of 3,5-diamino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide (CID 63694073) is 3,5-diamino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide.
What is the SMILES notation for 3,5-diamino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
The canonical SMILES for 3,5-diamino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide is CN(C)CCN(C)C(=O)c1cc(N)cc(N)c1.
What is the InChIKey of 3,5-diamino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
The InChIKey is OLLMIKVLJWPYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-15(2)4-5-16(3)12(17)9-6-10(13)8-11(14)7-9/h6-8H,4-5,13-14H2,1-3H3.
What are the key properties of 3,5-diamino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
3,5-diamino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide has a molecular weight of 236.32 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide is sourced from PubChem (CID 63694073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).