5-[[1-(dimethylamino)cyclopentyl]methylamino]pentanoic acid

C13H26N2O2 — CID 103262326

IUPAC5-[[1-(dimethylamino)cyclopentyl]methylamino]pentanoic acid
SMILESCN(C)C1(CNCCCCC(=O)O)CCCC1
InChIInChI=1S/C13H26N2O2/c1-15(2)13(8-4-5-9-13)11-14-10-6-3-7-12(16)17/h14H,3-11H2,1-2H3,(H,16,17)
InChIKeyVJWXFYAEEUZOQO-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.71
Rot. Bonds8

About 5-[[1-(dimethylamino)cyclopentyl]methylamino]pentanoic acid

5-[[1-(dimethylamino)cyclopentyl]methylamino]pentanoic acid (PubChem CID 103262326) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 5-[[1-(dimethylamino)cyclopentyl]methylamino]pentanoic acid.

Molecular Properties

Compound Name5-[[1-(dimethylamino)cyclopentyl]methylamino]pentanoic acid
PubChem CID103262326
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name5-[[1-(dimethylamino)cyclopentyl]methylamino]pentanoic acid
SMILESCN(C)C1(CNCCCCC(=O)O)CCCC1
InChIInChI=1S/C13H26N2O2/c1-15(2)13(8-4-5-9-13)11-14-10-6-3-7-12(16)17/h14H,3-11H2,1-2H3,(H,16,17)
InChIKeyVJWXFYAEEUZOQO-UHFFFAOYSA-N
XLogP1.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.71
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-[[1-(dimethylamino)cyclobutyl]methylamino]propanoic acid
CID 105416372
6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid
CID 83116908
methyl 4-[[1-(dimethylamino)cyclopentyl]methylamino]butanoate
CID 83121631
methyl 4-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate
CID 105416398
5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]pentanoic acid
CID 105419709
5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid
CID 103263075
N-[[1-(dimethylamino)cyclobutyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 105416972
N,N-dimethyl-1-[(3-methylsulfanylpropylamino)methyl]cyclohexan-1-amine
CID 28622139
2-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl-methylamino]acetic acid
CID 83120548
4-[(1-hydroxycyclohexyl)methylamino]butanoic acid
CID 65108900
N,N-dimethyl-1-[(3-phenoxypropylamino)methyl]cyclopentan-1-amine
CID 78915355
2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid
CID 83121587

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(dimethylamino)cyclopentyl]methylamino]pentanoic acid?
The IUPAC name of 5-[[1-(dimethylamino)cyclopentyl]methylamino]pentanoic acid (CID 103262326) is 5-[[1-(dimethylamino)cyclopentyl]methylamino]pentanoic acid.
What is the SMILES notation for 5-[[1-(dimethylamino)cyclopentyl]methylamino]pentanoic acid?
The canonical SMILES for 5-[[1-(dimethylamino)cyclopentyl]methylamino]pentanoic acid is CN(C)C1(CNCCCCC(=O)O)CCCC1.
What is the InChIKey of 5-[[1-(dimethylamino)cyclopentyl]methylamino]pentanoic acid?
The InChIKey is VJWXFYAEEUZOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-15(2)13(8-4-5-9-13)11-14-10-6-3-7-12(16)17/h14H,3-11H2,1-2H3,(H,16,17).
What are the key properties of 5-[[1-(dimethylamino)cyclopentyl]methylamino]pentanoic acid?
5-[[1-(dimethylamino)cyclopentyl]methylamino]pentanoic acid has a molecular weight of 242.36 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(dimethylamino)cyclopentyl]methylamino]pentanoic acid is sourced from PubChem (CID 103262326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).