5-(dimethylamino)pentanoic acid;hydrochloride

C7H16ClNO2 — CID 22832099

IUPAC5-(dimethylamino)pentanoic acid;hydrochloride
SMILESCN(C)CCCCC(=O)O.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-8(2)6-4-3-5-7(9)10;/h3-6H2,1-2H3,(H,9,10);1H
InChIKeyHOHQBFGGPNOAFB-UHFFFAOYSA-N
MW181.66 g/mol
LogP1.22
Rot. Bonds5

About 5-(dimethylamino)pentanoic acid;hydrochloride

5-(dimethylamino)pentanoic acid;hydrochloride (PubChem CID 22832099) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is 5-(dimethylamino)pentanoic acid;hydrochloride.

Molecular Properties

Compound Name5-(dimethylamino)pentanoic acid;hydrochloride
PubChem CID22832099
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Name5-(dimethylamino)pentanoic acid;hydrochloride
SMILESCN(C)CCCCC(=O)O.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-8(2)6-4-3-5-7(9)10;/h3-6H2,1-2H3,(H,9,10);1H
InChIKeyHOHQBFGGPNOAFB-UHFFFAOYSA-N
XLogP1.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)pentanoic acid;hydrochloride?
The IUPAC name of 5-(dimethylamino)pentanoic acid;hydrochloride (CID 22832099) is 5-(dimethylamino)pentanoic acid;hydrochloride.
What is the SMILES notation for 5-(dimethylamino)pentanoic acid;hydrochloride?
The canonical SMILES for 5-(dimethylamino)pentanoic acid;hydrochloride is CN(C)CCCCC(=O)O.Cl.
What is the InChIKey of 5-(dimethylamino)pentanoic acid;hydrochloride?
The InChIKey is HOHQBFGGPNOAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-8(2)6-4-3-5-7(9)10;/h3-6H2,1-2H3,(H,9,10);1H.
What are the key properties of 5-(dimethylamino)pentanoic acid;hydrochloride?
5-(dimethylamino)pentanoic acid;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)pentanoic acid;hydrochloride is sourced from PubChem (CID 22832099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).