6-[2-(dimethylamino)ethyl-methylamino]-6-oxohexanoic acid

C11H22N2O3 — CID 63694639

IUPAC6-[2-(dimethylamino)ethyl-methylamino]-6-oxohexanoic acid
SMILESCN(C)CCN(C)C(=O)CCCCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-12(2)8-9-13(3)10(14)6-4-5-7-11(15)16/h4-9H2,1-3H3,(H,15,16)
InChIKeyULNQXXJIGRNKSI-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.65
Rot. Bonds8

About 6-[2-(dimethylamino)ethyl-methylamino]-6-oxohexanoic acid

6-[2-(dimethylamino)ethyl-methylamino]-6-oxohexanoic acid (PubChem CID 63694639) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethyl-methylamino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethyl-methylamino]-6-oxohexanoic acid
PubChem CID63694639
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name6-[2-(dimethylamino)ethyl-methylamino]-6-oxohexanoic acid
SMILESCN(C)CCN(C)C(=O)CCCCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-12(2)8-9-13(3)10(14)6-4-5-7-11(15)16/h4-9H2,1-3H3,(H,15,16)
InChIKeyULNQXXJIGRNKSI-UHFFFAOYSA-N
XLogP0.65
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.65
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

6-[butyl(methyl)amino]-6-oxohexanoic acid
CID 43447178
3-[[5-(diethylamino)-5-oxopentanoyl]-methylamino]propanoic acid
CID 119232796
4-[heptanoyl(methyl)amino]butanoic acid
CID 43172442
10-[methyl(pentyl)amino]-10-oxodecanoic acid
CID 143390074
4-[6-aminohexanoyl(methyl)amino]butanoic acid
CID 61160590
8-[ethyl(methyl)amino]-8-oxooctanoic acid
CID 175615328
2-(dimethylamino)ethanol;hexanedioic acid
CID 159637742
bis(octanoic acid);N,N,N',N'-tetramethylethane-1,2-diamine;zinc
CID 175605017
3-[[5-(dimethylamino)-5-oxopentanoyl]-methylamino]propanoic acid
CID 119233192
CID 88685642
CID 88685642
5-amino-N-[2-(dimethylamino)ethyl]-N-methylhexanamide
CID 82852143
sodium 3-[methyl(tetradecanoyl)amino]propanoic acid
CID 22614079

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethyl-methylamino]-6-oxohexanoic acid?
The IUPAC name of 6-[2-(dimethylamino)ethyl-methylamino]-6-oxohexanoic acid (CID 63694639) is 6-[2-(dimethylamino)ethyl-methylamino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[2-(dimethylamino)ethyl-methylamino]-6-oxohexanoic acid?
The canonical SMILES for 6-[2-(dimethylamino)ethyl-methylamino]-6-oxohexanoic acid is CN(C)CCN(C)C(=O)CCCCC(=O)O.
What is the InChIKey of 6-[2-(dimethylamino)ethyl-methylamino]-6-oxohexanoic acid?
The InChIKey is ULNQXXJIGRNKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-12(2)8-9-13(3)10(14)6-4-5-7-11(15)16/h4-9H2,1-3H3,(H,15,16).
What are the key properties of 6-[2-(dimethylamino)ethyl-methylamino]-6-oxohexanoic acid?
6-[2-(dimethylamino)ethyl-methylamino]-6-oxohexanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethyl-methylamino]-6-oxohexanoic acid is sourced from PubChem (CID 63694639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).