4-amino-N-[3-(dimethylamino)propyl]-N-methylbenzamide

C13H21N3O — CID 22567507

IUPAC4-amino-N-[3-(dimethylamino)propyl]-N-methylbenzamide
SMILESCN(C)CCCN(C)C(=O)c1ccc(N)cc1
InChIInChI=1S/C13H21N3O/c1-15(2)9-4-10-16(3)13(17)11-5-7-12(14)8-6-11/h5-8H,4,9-10,14H2,1-3H3
InChIKeyYLLPACHGOOZABB-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.29
Rot. Bonds5

About 4-amino-N-[3-(dimethylamino)propyl]-N-methylbenzamide

4-amino-N-[3-(dimethylamino)propyl]-N-methylbenzamide (PubChem CID 22567507) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-amino-N-[3-(dimethylamino)propyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-[3-(dimethylamino)propyl]-N-methylbenzamide
PubChem CID22567507
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-amino-N-[3-(dimethylamino)propyl]-N-methylbenzamide
SMILESCN(C)CCCN(C)C(=O)c1ccc(N)cc1
InChIInChI=1S/C13H21N3O/c1-15(2)9-4-10-16(3)13(17)11-5-7-12(14)8-6-11/h5-8H,4,9-10,14H2,1-3H3
InChIKeyYLLPACHGOOZABB-UHFFFAOYSA-N
XLogP1.29
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-methoxypropyl)-N-methylbenzamide;hydrochloride
CID 119754957
4-amino-N-(2-dimethylarsanylethyl)-N-methylbenzamide
CID 175266582
4-chloro-N-[4-(dimethylamino)butyl]-N-methylbenzamide
CID 154838385
3-amino-4-bromo-N-[3-(dimethylamino)propyl]-N-methylbenzamide
CID 55227519
4-amino-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656326
4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide
CID 43373883
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936
3-amino-N-[3-(dimethylamino)propyl]-5-methoxy-N-methylbenzamide
CID 81092304
4-amino-N-(2-cyclobutylethyl)-N-methylbenzamide
CID 115161061
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60892887
3-amino-N-[3-(dimethylamino)propyl]-N-methylthiophene-2-carboxamide
CID 63694246
3-(4-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylbutanamide
CID 104502633

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(dimethylamino)propyl]-N-methylbenzamide?
The IUPAC name of 4-amino-N-[3-(dimethylamino)propyl]-N-methylbenzamide (CID 22567507) is 4-amino-N-[3-(dimethylamino)propyl]-N-methylbenzamide.
What is the SMILES notation for 4-amino-N-[3-(dimethylamino)propyl]-N-methylbenzamide?
The canonical SMILES for 4-amino-N-[3-(dimethylamino)propyl]-N-methylbenzamide is CN(C)CCCN(C)C(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[3-(dimethylamino)propyl]-N-methylbenzamide?
The InChIKey is YLLPACHGOOZABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-15(2)9-4-10-16(3)13(17)11-5-7-12(14)8-6-11/h5-8H,4,9-10,14H2,1-3H3.
What are the key properties of 4-amino-N-[3-(dimethylamino)propyl]-N-methylbenzamide?
4-amino-N-[3-(dimethylamino)propyl]-N-methylbenzamide has a molecular weight of 235.33 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(dimethylamino)propyl]-N-methylbenzamide is sourced from PubChem (CID 22567507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).