4-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid

C15H22N2O2 — CID 83121256

IUPAC4-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid
SMILESCN(C)C1(CNc2ccc(C(=O)O)cc2)CCCC1
InChIInChI=1S/C15H22N2O2/c1-17(2)15(9-3-4-10-15)11-16-13-7-5-12(6-8-13)14(18)19/h5-8,16H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyHTCHKAPUNGTLOW-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.67
Rot. Bonds5

About 4-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid

4-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid (PubChem CID 83121256) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid.

Molecular Properties

Compound Name4-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid
PubChem CID83121256
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid
SMILESCN(C)C1(CNc2ccc(C(=O)O)cc2)CCCC1
InChIInChI=1S/C15H22N2O2/c1-17(2)15(9-3-4-10-15)11-16-13-7-5-12(6-8-13)14(18)19/h5-8,16H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyHTCHKAPUNGTLOW-UHFFFAOYSA-N
XLogP2.67
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide
CID 105417171
2-[[1-(dimethylamino)cyclopentyl]methylamino]-3-methylbenzoic acid
CID 107112365
6-[[1-(dimethylamino)cycloheptyl]methylamino]pyridine-2-carboxylic acid
CID 122052738
2-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid
CID 83118194
N-[4-[[1-(dimethylamino)cyclohexyl]methylcarbamothioyl]phenyl]acetamide
CID 2538200
5-[[1-(dimethylamino)cyclopentyl]methylamino]pyrazine-2-carboxylic acid
CID 83117218
3-[[1-(dimethylamino)cycloheptyl]methylsulfamoyl]-4-methoxybenzoic acid
CID 45422378
3-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]pyridine-2-carboxylic acid
CID 83121539
6-[[1-(dimethylamino)cyclobutyl]methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 105418958
2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 105418612
4-[[1-(dimethylamino)cyclopentyl]methylamino]-6-methylpyridine-3-carboxylic acid
CID 83121725
4-[[3-(dimethylamino)-3-oxopropyl]amino]benzoic acid
CID 62230699

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid?
The IUPAC name of 4-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid (CID 83121256) is 4-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid.
What is the SMILES notation for 4-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid?
The canonical SMILES for 4-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid is CN(C)C1(CNc2ccc(C(=O)O)cc2)CCCC1.
What is the InChIKey of 4-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid?
The InChIKey is HTCHKAPUNGTLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(2)15(9-3-4-10-15)11-16-13-7-5-12(6-8-13)14(18)19/h5-8,16H,3-4,9-11H2,1-2H3,(H,18,19).
What are the key properties of 4-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid?
4-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid has a molecular weight of 262.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid is sourced from PubChem (CID 83121256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).