2-[3-(dimethylamino)-4-methylanilino]hexanoic acid

C15H24N2O2 — CID 103260514

IUPAC2-[3-(dimethylamino)-4-methylanilino]hexanoic acid
SMILESCCCCC(Nc1ccc(C)c(N(C)C)c1)C(=O)O
InChIInChI=1S/C15H24N2O2/c1-5-6-7-13(15(18)19)16-12-9-8-11(2)14(10-12)17(3)4/h8-10,13,16H,5-7H2,1-4H3,(H,18,19)
InChIKeyLIQXTIJRZXQWEH-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.12
Rot. Bonds7

About 2-[3-(dimethylamino)-4-methylanilino]hexanoic acid

2-[3-(dimethylamino)-4-methylanilino]hexanoic acid (PubChem CID 103260514) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-4-methylanilino]hexanoic acid.

Molecular Properties

Compound Name2-[3-(dimethylamino)-4-methylanilino]hexanoic acid
PubChem CID103260514
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[3-(dimethylamino)-4-methylanilino]hexanoic acid
SMILESCCCCC(Nc1ccc(C)c(N(C)C)c1)C(=O)O
InChIInChI=1S/C15H24N2O2/c1-5-6-7-13(15(18)19)16-12-9-8-11(2)14(10-12)17(3)4/h8-10,13,16H,5-7H2,1-4H3,(H,18,19)
InChIKeyLIQXTIJRZXQWEH-UHFFFAOYSA-N
XLogP3.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(dimethylamino)-4-methylanilino]butanamide
CID 113297760
methyl 3-amino-2-[3-(dimethylamino)-4-methylanilino]propanoate
CID 114242330
2-(4-methylanilino)heptanoic acid
CID 54889807
2-(4-methylanilino)nonanoic acid
CID 63524441
2-(4-methylsulfanylanilino)hexanoic acid
CID 103232532
2-(3-methylanilino)heptanoic acid
CID 54890661
2-(thiophen-3-ylamino)hexanoic acid
CID 103255804
2-(2,4-dimethylanilino)hexanoic acid
CID 103230729
N-butan-2-yl-2-[3-(dimethylamino)-4-methylanilino]propanamide
CID 115378263
2-amino-N-[3-(dimethylamino)-4-methylphenyl]pentanamide
CID 113297671
2-(3-cyano-4-fluoroanilino)hexanoic acid
CID 103247911
2-[3-(dimethylamino)anilino]pentanoic acid
CID 83041129

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-4-methylanilino]hexanoic acid?
The IUPAC name of 2-[3-(dimethylamino)-4-methylanilino]hexanoic acid (CID 103260514) is 2-[3-(dimethylamino)-4-methylanilino]hexanoic acid.
What is the SMILES notation for 2-[3-(dimethylamino)-4-methylanilino]hexanoic acid?
The canonical SMILES for 2-[3-(dimethylamino)-4-methylanilino]hexanoic acid is CCCCC(Nc1ccc(C)c(N(C)C)c1)C(=O)O.
What is the InChIKey of 2-[3-(dimethylamino)-4-methylanilino]hexanoic acid?
The InChIKey is LIQXTIJRZXQWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-6-7-13(15(18)19)16-12-9-8-11(2)14(10-12)17(3)4/h8-10,13,16H,5-7H2,1-4H3,(H,18,19).
What are the key properties of 2-[3-(dimethylamino)-4-methylanilino]hexanoic acid?
2-[3-(dimethylamino)-4-methylanilino]hexanoic acid has a molecular weight of 264.37 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-4-methylanilino]hexanoic acid is sourced from PubChem (CID 103260514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).