3-[[3-(dimethylamino)propylamino]methyl]benzamide

C13H21N3O — CID 28583702

IUPAC3-[[3-(dimethylamino)propylamino]methyl]benzamide
SMILESCN(C)CCCNCc1cccc(C(N)=O)c1
InChIInChI=1S/C13H21N3O/c1-16(2)8-4-7-15-10-11-5-3-6-12(9-11)13(14)17/h3,5-6,9,15H,4,7-8,10H2,1-2H3,(H2,14,17)
InChIKeyCOHBXXZDZVCKBZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.83
Rot. Bonds7

About 3-[[3-(dimethylamino)propylamino]methyl]benzamide

3-[[3-(dimethylamino)propylamino]methyl]benzamide (PubChem CID 28583702) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[[3-(dimethylamino)propylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[3-(dimethylamino)propylamino]methyl]benzamide
PubChem CID28583702
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-[[3-(dimethylamino)propylamino]methyl]benzamide
SMILESCN(C)CCCNCc1cccc(C(N)=O)c1
InChIInChI=1S/C13H21N3O/c1-16(2)8-4-7-15-10-11-5-3-6-12(9-11)13(14)17/h3,5-6,9,15H,4,7-8,10H2,1-2H3,(H2,14,17)
InChIKeyCOHBXXZDZVCKBZ-UHFFFAOYSA-N
XLogP0.83
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-[ethyl(methyl)amino]ethylamino]methyl]benzamide
CID 55139292
3-[(3-methylsulfanylpropylamino)methyl]benzamide
CID 43426792
3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzamide
CID 103992655
3-[(4,4,4-trifluorobutylamino)methyl]benzamide
CID 79039829
4-[[3-(dimethylamino)propylamino]methyl]-3-fluorobenzamide
CID 28583705
3-[(3-carbamoylphenyl)methylamino]propanoic acid
CID 43466251
3-[[2-(tert-butylamino)ethylamino]methyl]benzamide
CID 107444865
3-[[(2-ethylphenyl)methylamino]methyl]benzamide
CID 62391737
3-[[(3-hydroxy-4-methylpentyl)amino]methyl]benzamide
CID 111468183
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367
3-[[[2-(diethylamino)-2-oxoethyl]amino]methyl]benzamide
CID 112688808
3-[[2-(4-methoxyphenyl)ethylamino]methyl]benzamide
CID 28574208

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(dimethylamino)propylamino]methyl]benzamide?
The IUPAC name of 3-[[3-(dimethylamino)propylamino]methyl]benzamide (CID 28583702) is 3-[[3-(dimethylamino)propylamino]methyl]benzamide.
What is the SMILES notation for 3-[[3-(dimethylamino)propylamino]methyl]benzamide?
The canonical SMILES for 3-[[3-(dimethylamino)propylamino]methyl]benzamide is CN(C)CCCNCc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[3-(dimethylamino)propylamino]methyl]benzamide?
The InChIKey is COHBXXZDZVCKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-16(2)8-4-7-15-10-11-5-3-6-12(9-11)13(14)17/h3,5-6,9,15H,4,7-8,10H2,1-2H3,(H2,14,17).
What are the key properties of 3-[[3-(dimethylamino)propylamino]methyl]benzamide?
3-[[3-(dimethylamino)propylamino]methyl]benzamide has a molecular weight of 235.33 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(dimethylamino)propylamino]methyl]benzamide is sourced from PubChem (CID 28583702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).