5-[3-(N-methylanilino)propylamino]pentanoic acid

C15H24N2O2 — CID 103232553

IUPAC5-[3-(N-methylanilino)propylamino]pentanoic acid
SMILESCN(CCCNCCCCC(=O)O)c1ccccc1
InChIInChI=1S/C15H24N2O2/c1-17(14-8-3-2-4-9-14)13-7-12-16-11-6-5-10-15(18)19/h2-4,8-9,16H,5-7,10-13H2,1H3,(H,18,19)
InChIKeyOQJBNYAVKPUJOA-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.36
Rot. Bonds10

About 5-[3-(N-methylanilino)propylamino]pentanoic acid

5-[3-(N-methylanilino)propylamino]pentanoic acid (PubChem CID 103232553) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-[3-(N-methylanilino)propylamino]pentanoic acid.

Molecular Properties

Compound Name5-[3-(N-methylanilino)propylamino]pentanoic acid
PubChem CID103232553
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name5-[3-(N-methylanilino)propylamino]pentanoic acid
SMILESCN(CCCNCCCCC(=O)O)c1ccccc1
InChIInChI=1S/C15H24N2O2/c1-17(14-8-3-2-4-9-14)13-7-12-16-11-6-5-10-15(18)19/h2-4,8-9,16H,5-7,10-13H2,1H3,(H,18,19)
InChIKeyOQJBNYAVKPUJOA-UHFFFAOYSA-N
XLogP2.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.36
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

2-[6-(N-methylanilino)hexylamino]ethanol
CID 70247662
N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine
CID 114525044
ethyl 3-[3-(N-methylanilino)propylamino]propanoate
CID 43242647
6-[2-(N-methylanilino)ethylamino]hexan-1-ol
CID 70258646
2-[methyl-[3-(N-methylanilino)propylcarbamoyl]amino]acetic acid
CID 43135762
N-hept-6-enyl-N'-methyl-N'-phenylpropane-1,3-diamine
CID 107006435
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
3-[3-(N-methylanilino)propylamino]butanoic acid
CID 43536640
N-[3-(N-methylanilino)propyl]pentanamide
CID 78799629
N-butyl-2-[3-(N-methylanilino)propylamino]acetamide
CID 60693948
N-cyclopropyl-N-methyl-2-[3-(N-methylanilino)propylamino]acetamide
CID 61488484
5-[2-(2-methylphenyl)ethylamino]pentanoic acid
CID 103256373

Frequently Asked Questions

What is the IUPAC name of 5-[3-(N-methylanilino)propylamino]pentanoic acid?
The IUPAC name of 5-[3-(N-methylanilino)propylamino]pentanoic acid (CID 103232553) is 5-[3-(N-methylanilino)propylamino]pentanoic acid.
What is the SMILES notation for 5-[3-(N-methylanilino)propylamino]pentanoic acid?
The canonical SMILES for 5-[3-(N-methylanilino)propylamino]pentanoic acid is CN(CCCNCCCCC(=O)O)c1ccccc1.
What is the InChIKey of 5-[3-(N-methylanilino)propylamino]pentanoic acid?
The InChIKey is OQJBNYAVKPUJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-17(14-8-3-2-4-9-14)13-7-12-16-11-6-5-10-15(18)19/h2-4,8-9,16H,5-7,10-13H2,1H3,(H,18,19).
What are the key properties of 5-[3-(N-methylanilino)propylamino]pentanoic acid?
5-[3-(N-methylanilino)propylamino]pentanoic acid has a molecular weight of 264.37 g/mol, XLogP of 2.36, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(N-methylanilino)propylamino]pentanoic acid is sourced from PubChem (CID 103232553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).