N-(3-aminopropyl)-3-[(dimethylamino)methyl]benzamide

C13H21N3O — CID 84613738

IUPACN-(3-aminopropyl)-3-[(dimethylamino)methyl]benzamide
SMILESCN(C)Cc1cccc(C(=O)NCCCN)c1
InChIInChI=1S/C13H21N3O/c1-16(2)10-11-5-3-6-12(9-11)13(17)15-8-4-7-14/h3,5-6,9H,4,7-8,10,14H2,1-2H3,(H,15,17)
InChIKeyFYASONCLHNAAJU-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.83
Rot. Bonds6

About N-(3-aminopropyl)-3-[(dimethylamino)methyl]benzamide

N-(3-aminopropyl)-3-[(dimethylamino)methyl]benzamide (PubChem CID 84613738) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-[(dimethylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-[(dimethylamino)methyl]benzamide
PubChem CID84613738
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(3-aminopropyl)-3-[(dimethylamino)methyl]benzamide
SMILESCN(C)Cc1cccc(C(=O)NCCCN)c1
InChIInChI=1S/C13H21N3O/c1-16(2)10-11-5-3-6-12(9-11)13(17)15-8-4-7-14/h3,5-6,9H,4,7-8,10,14H2,1-2H3,(H,15,17)
InChIKeyFYASONCLHNAAJU-UHFFFAOYSA-N
XLogP0.83
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-[(dimethylamino)methyl]-N-[(4-ethylphenyl)methyl]benzamide
CID 119041971
N-(3-aminopropyl)-3-iodobenzamide
CID 28978873
N-(2-amino-2-ethylbutyl)-3-[(dimethylamino)methyl]benzamide;dihydrochloride
CID 119641082
3-acetamido-N-(3-aminopropyl)benzamide
CID 82335696
3-[3-(aminomethyl)phenyl]-N-[3-[3-aminopropyl(methyl)amino]propyl]benzamide
CID 167839561
3-[3-[3-aminopropyl(methyl)amino]propylcarbamoyl]benzoic acid
CID 70661699
3-[3-[(dimethylamino)methyl]phenyl]benzohydrazide
CID 177345259
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367
N-(4-aminophenyl)-3-[(dimethylamino)methyl]benzamide
CID 84613744
3-(2-aminoethyl)-N-(3-methylsulfinylpropyl)benzamide
CID 113487169
1-N,3-N-bis(2-aminoethyl)benzene-1,3-dicarboxamide
CID 54754655
N-(3-aminopropyl)-3-ethoxybenzamide;hydrochloride
CID 119407722

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-[(dimethylamino)methyl]benzamide?
The IUPAC name of N-(3-aminopropyl)-3-[(dimethylamino)methyl]benzamide (CID 84613738) is N-(3-aminopropyl)-3-[(dimethylamino)methyl]benzamide.
What is the SMILES notation for N-(3-aminopropyl)-3-[(dimethylamino)methyl]benzamide?
The canonical SMILES for N-(3-aminopropyl)-3-[(dimethylamino)methyl]benzamide is CN(C)Cc1cccc(C(=O)NCCCN)c1.
What is the InChIKey of N-(3-aminopropyl)-3-[(dimethylamino)methyl]benzamide?
The InChIKey is FYASONCLHNAAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-16(2)10-11-5-3-6-12(9-11)13(17)15-8-4-7-14/h3,5-6,9H,4,7-8,10,14H2,1-2H3,(H,15,17).
What are the key properties of N-(3-aminopropyl)-3-[(dimethylamino)methyl]benzamide?
N-(3-aminopropyl)-3-[(dimethylamino)methyl]benzamide has a molecular weight of 235.33 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-[(dimethylamino)methyl]benzamide is sourced from PubChem (CID 84613738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).