5-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,4-dimethylbenzamide

C17H27N3O — CID 102705855

IUPAC5-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCC2(N(C)C)CCCC2)cc1N
InChIInChI=1S/C17H27N3O/c1-12-9-13(2)15(18)10-14(12)16(21)19-11-17(20(3)4)7-5-6-8-17/h9-10H,5-8,11,18H2,1-4H3,(H,19,21)
InChIKeyUIYNXFNQEZVCIQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.49
Rot. Bonds4

About 5-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,4-dimethylbenzamide

5-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,4-dimethylbenzamide (PubChem CID 102705855) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 5-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,4-dimethylbenzamide
PubChem CID102705855
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name5-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCC2(N(C)C)CCCC2)cc1N
InChIInChI=1S/C17H27N3O/c1-12-9-13(2)15(18)10-14(12)16(21)19-11-17(20(3)4)7-5-6-8-17/h9-10H,5-8,11,18H2,1-4H3,(H,19,21)
InChIKeyUIYNXFNQEZVCIQ-UHFFFAOYSA-N
XLogP2.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methylpyridine-3-carboxamide
CID 83115454
3-amino-5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbenzamide
CID 107873217
4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-fluorobenzamide
CID 83107917
5-amino-N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethylbenzamide
CID 102705008
4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-methoxybenzamide
CID 104783189
2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-hydroxybenzamide
CID 106502082
2-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-fluorobenzamide
CID 18165149
4-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-fluorobenzamide
CID 18165179
5-amino-N-but-3-ynyl-2,4-dimethylbenzamide
CID 102705618
5-amino-2,4-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 102705513
N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 55666017
2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-methylpyridine-4-carboxamide
CID 105420310

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,4-dimethylbenzamide?
The IUPAC name of 5-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,4-dimethylbenzamide (CID 102705855) is 5-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,4-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,4-dimethylbenzamide?
The canonical SMILES for 5-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,4-dimethylbenzamide is Cc1cc(C)c(C(=O)NCC2(N(C)C)CCCC2)cc1N.
What is the InChIKey of 5-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,4-dimethylbenzamide?
The InChIKey is UIYNXFNQEZVCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12-9-13(2)15(18)10-14(12)16(21)19-11-17(20(3)4)7-5-6-8-17/h9-10H,5-8,11,18H2,1-4H3,(H,19,21).
What are the key properties of 5-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,4-dimethylbenzamide?
5-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,4-dimethylbenzamide has a molecular weight of 289.42 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 102705855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).