6-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylhexanoic acid

C15H32N2O2 — CID 106713981

IUPAC6-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylhexanoic acid
SMILESCCCN(CCCCC(C)(C)C(=O)O)CCN(C)C
InChIInChI=1S/C15H32N2O2/c1-6-10-17(13-12-16(4)5)11-8-7-9-15(2,3)14(18)19/h6-13H2,1-5H3,(H,18,19)
InChIKeyZSFHUISYMVGOJG-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.54
Rot. Bonds11

About 6-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylhexanoic acid

6-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylhexanoic acid (PubChem CID 106713981) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylhexanoic acid
PubChem CID106713981
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name6-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylhexanoic acid
SMILESCCCN(CCCCC(C)(C)C(=O)O)CCN(C)C
InChIInChI=1S/C15H32N2O2/c1-6-10-17(13-12-16(4)5)11-8-7-9-15(2,3)14(18)19/h6-13H2,1-5H3,(H,18,19)
InChIKeyZSFHUISYMVGOJG-UHFFFAOYSA-N
XLogP2.54
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.54
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

4-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylbutanoic acid
CID 65248284
2,2-dimethyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid
CID 106713942
6-[ethyl(methyl)amino]-2,2-dimethylhexanoic acid
CID 106713898
2,2-dimethyldocosanoic acid
CID 23471202
5-[2-(dimethylamino)ethyl-propylamino]pentan-1-ol
CID 62228988
5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanoic acid
CID 65254635
tris(2,2-dimethyldecanoic acid);neodymium
CID 162514792
2,2-dimethylhexanoic acid;hydrochloride
CID 87873074
3-[2-(dimethylamino)ethyl-heptylamino]propanoic acid
CID 82328793
6-[(5-carboxy-5,5-diphenylpentyl)-[2-(dimethylamino)ethyl]amino]-2,2-diphenylhexanoic acid
CID 170636634
magnesium;2,2-dimethyloctanoic acid;hydride
CID 173414745
N-tert-butyl-N'-[2-(dimethylamino)ethyl]-N'-propylpentane-1,5-diamine
CID 55072277

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylhexanoic acid?
The IUPAC name of 6-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylhexanoic acid (CID 106713981) is 6-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylhexanoic acid.
What is the SMILES notation for 6-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylhexanoic acid?
The canonical SMILES for 6-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylhexanoic acid is CCCN(CCCCC(C)(C)C(=O)O)CCN(C)C.
What is the InChIKey of 6-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylhexanoic acid?
The InChIKey is ZSFHUISYMVGOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-6-10-17(13-12-16(4)5)11-8-7-9-15(2,3)14(18)19/h6-13H2,1-5H3,(H,18,19).
What are the key properties of 6-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylhexanoic acid?
6-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylhexanoic acid has a molecular weight of 272.43 g/mol, XLogP of 2.54, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylhexanoic acid is sourced from PubChem (CID 106713981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).