2,5-dimethyl-2-[(1-methylimidazol-2-yl)amino]hexanoic acid

C12H21N3O2 — CID 154787909

IUPAC2,5-dimethyl-2-[(1-methylimidazol-2-yl)amino]hexanoic acid
SMILESCC(C)CCC(C)(Nc1nccn1C)C(=O)O
InChIInChI=1S/C12H21N3O2/c1-9(2)5-6-12(3,10(16)17)14-11-13-7-8-15(11)4/h7-9H,5-6H2,1-4H3,(H,13,14)(H,16,17)
InChIKeyWPLZZBHBQMVMHA-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.11
Rot. Bonds6

About 2,5-dimethyl-2-[(1-methylimidazol-2-yl)amino]hexanoic acid

2,5-dimethyl-2-[(1-methylimidazol-2-yl)amino]hexanoic acid (PubChem CID 154787909) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2,5-dimethyl-2-[(1-methylimidazol-2-yl)amino]hexanoic acid.

Molecular Properties

Compound Name2,5-dimethyl-2-[(1-methylimidazol-2-yl)amino]hexanoic acid
PubChem CID154787909
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2,5-dimethyl-2-[(1-methylimidazol-2-yl)amino]hexanoic acid
SMILESCC(C)CCC(C)(Nc1nccn1C)C(=O)O
InChIInChI=1S/C12H21N3O2/c1-9(2)5-6-12(3,10(16)17)14-11-13-7-8-15(11)4/h7-9H,5-6H2,1-4H3,(H,13,14)(H,16,17)
InChIKeyWPLZZBHBQMVMHA-UHFFFAOYSA-N
XLogP2.11
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,5-dimethyl-2-[(1-methylimidazol-2-yl)amino]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-[(1-methylimidazol-2-yl)amino]butanoic acid
CID 80539688
2-[(1-methylimidazol-2-yl)amino]-N-propan-2-ylacetamide
CID 62133098
2,5-dimethyl-2-(2-methylimidazol-1-yl)hexanoic acid
CID 114987536
4-methyl-1-(3-methylbutyl)-N-(1-methylimidazol-2-yl)-2-oxopyridine-3-carboxamide
CID 172655426
2,5-dimethyl-2-(2-methylanilino)hexanoic acid
CID 60991232
2-(4-bromoanilino)-2,5-dimethylhexanoic acid
CID 60994545
2-methyl-4-(1-methylimidazol-2-yl)sulfanyl-2-(propan-2-ylamino)pentanoic acid
CID 64709872
1-methyl-N-(2,3,3-trimethylbutyl)imidazol-2-amine
CID 83143894
2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-2-methylpentanoic acid
CID 62939947
2-[(1-methylimidazol-2-yl)amino]butanoic acid
CID 62132542
2-(ethylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentanoic acid
CID 64710646
2-methyl-1-[(1-methylimidazol-2-yl)amino]propan-2-ol
CID 65108978

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-[(1-methylimidazol-2-yl)amino]hexanoic acid?
The IUPAC name of 2,5-dimethyl-2-[(1-methylimidazol-2-yl)amino]hexanoic acid (CID 154787909) is 2,5-dimethyl-2-[(1-methylimidazol-2-yl)amino]hexanoic acid.
What is the SMILES notation for 2,5-dimethyl-2-[(1-methylimidazol-2-yl)amino]hexanoic acid?
The canonical SMILES for 2,5-dimethyl-2-[(1-methylimidazol-2-yl)amino]hexanoic acid is CC(C)CCC(C)(Nc1nccn1C)C(=O)O.
What is the InChIKey of 2,5-dimethyl-2-[(1-methylimidazol-2-yl)amino]hexanoic acid?
The InChIKey is WPLZZBHBQMVMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)5-6-12(3,10(16)17)14-11-13-7-8-15(11)4/h7-9H,5-6H2,1-4H3,(H,13,14)(H,16,17).
What are the key properties of 2,5-dimethyl-2-[(1-methylimidazol-2-yl)amino]hexanoic acid?
2,5-dimethyl-2-[(1-methylimidazol-2-yl)amino]hexanoic acid has a molecular weight of 239.32 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-[(1-methylimidazol-2-yl)amino]hexanoic acid is sourced from PubChem (CID 154787909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).