4-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylbutanoic acid

C13H28N2O2 — CID 65248284

IUPAC4-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylbutanoic acid
SMILESCCCN(CCN(C)C)CCC(C)(C)C(=O)O
InChIInChI=1S/C13H28N2O2/c1-6-8-15(11-10-14(4)5)9-7-13(2,3)12(16)17/h6-11H2,1-5H3,(H,16,17)
InChIKeyXIJWWGMXRUNYBB-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.76
Rot. Bonds9

About 4-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylbutanoic acid

4-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylbutanoic acid (PubChem CID 65248284) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylbutanoic acid
PubChem CID65248284
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name4-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylbutanoic acid
SMILESCCCN(CCN(C)C)CCC(C)(C)C(=O)O
InChIInChI=1S/C13H28N2O2/c1-6-8-15(11-10-14(4)5)9-7-13(2,3)12(16)17/h6-11H2,1-5H3,(H,16,17)
InChIKeyXIJWWGMXRUNYBB-UHFFFAOYSA-N
XLogP1.76
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylbutanoic acid?
The IUPAC name of 4-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylbutanoic acid (CID 65248284) is 4-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylbutanoic acid is CCCN(CCN(C)C)CCC(C)(C)C(=O)O.
What is the InChIKey of 4-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylbutanoic acid?
The InChIKey is XIJWWGMXRUNYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-6-8-15(11-10-14(4)5)9-7-13(2,3)12(16)17/h6-11H2,1-5H3,(H,16,17).
What are the key properties of 4-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylbutanoic acid?
4-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylbutanoic acid has a molecular weight of 244.38 g/mol, XLogP of 1.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylbutanoic acid is sourced from PubChem (CID 65248284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).