6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanoic acid

C13H26N2O2 — CID 79314027

IUPAC6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanoic acid
SMILESCN(CCCCCC(=O)O)CC1CCCN1C
InChIInChI=1S/C13H26N2O2/c1-14(9-5-3-4-8-13(16)17)11-12-7-6-10-15(12)2/h12H,3-11H2,1-2H3,(H,16,17)
InChIKeyMGGVDRFICXTAIK-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.66
Rot. Bonds8

About 6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanoic acid

6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanoic acid (PubChem CID 79314027) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanoic acid
PubChem CID79314027
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanoic acid
SMILESCN(CCCCCC(=O)O)CC1CCCN1C
InChIInChI=1S/C13H26N2O2/c1-14(9-5-3-4-8-13(16)17)11-12-7-6-10-15(12)2/h12H,3-11H2,1-2H3,(H,16,17)
InChIKeyMGGVDRFICXTAIK-UHFFFAOYSA-N
XLogP1.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoate
CID 79313620
4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]butanoic acid
CID 124511772
6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]-6-oxohexanoic acid
CID 79311151
ethyl 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate
CID 79314533
2-methyl-2-(methylamino)-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanamide
CID 79315577
2-(cyclopropylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoic acid
CID 79309267
N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]butane-1,4-diamine
CID 79312706
N-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine
CID 79314716
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid
CID 79315922
1-(4-bromophenyl)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-one
CID 79312393
2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid
CID 79315867
3-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid
CID 79314030

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanoic acid?
The IUPAC name of 6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanoic acid (CID 79314027) is 6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanoic acid.
What is the SMILES notation for 6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanoic acid?
The canonical SMILES for 6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanoic acid is CN(CCCCCC(=O)O)CC1CCCN1C.
What is the InChIKey of 6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanoic acid?
The InChIKey is MGGVDRFICXTAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-14(9-5-3-4-8-13(16)17)11-12-7-6-10-15(12)2/h12H,3-11H2,1-2H3,(H,16,17).
What are the key properties of 6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanoic acid?
6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanoic acid has a molecular weight of 242.36 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanoic acid is sourced from PubChem (CID 79314027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).