2,2-dimethyl-5-[methyl(2-pyridin-4-ylethyl)amino]pentanoic acid

C15H24N2O2 — CID 65255191

IUPAC2,2-dimethyl-5-[methyl(2-pyridin-4-ylethyl)amino]pentanoic acid
SMILESCN(CCCC(C)(C)C(=O)O)CCc1ccncc1
InChIInChI=1S/C15H24N2O2/c1-15(2,14(18)19)8-4-11-17(3)12-7-13-5-9-16-10-6-13/h5-6,9-10H,4,7-8,11-12H2,1-3H3,(H,18,19)
InChIKeyHPBJKRDTQXPSTI-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.45
Rot. Bonds8

About 2,2-dimethyl-5-[methyl(2-pyridin-4-ylethyl)amino]pentanoic acid

2,2-dimethyl-5-[methyl(2-pyridin-4-ylethyl)amino]pentanoic acid (PubChem CID 65255191) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2,2-dimethyl-5-[methyl(2-pyridin-4-ylethyl)amino]pentanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-5-[methyl(2-pyridin-4-ylethyl)amino]pentanoic acid
PubChem CID65255191
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2,2-dimethyl-5-[methyl(2-pyridin-4-ylethyl)amino]pentanoic acid
SMILESCN(CCCC(C)(C)C(=O)O)CCc1ccncc1
InChIInChI=1S/C15H24N2O2/c1-15(2,14(18)19)8-4-11-17(3)12-7-13-5-9-16-10-6-13/h5-6,9-10H,4,7-8,11-12H2,1-3H3,(H,18,19)
InChIKeyHPBJKRDTQXPSTI-UHFFFAOYSA-N
XLogP2.45
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-5-[methyl(2-pyridin-4-ylethyl)amino]pentanoic 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

2,2-dimethyl-6-[methyl(pyridin-4-ylmethyl)amino]hexanoic acid
CID 106713922
4,4-dimethyl-1-[methyl(2-pyridin-4-ylethyl)amino]pentan-3-one
CID 62624763
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
2-amino-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]hexan-1-ol
CID 64825270
2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoic acid
CID 65487093
3-chloro-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 61286728
2-methyl-2-(methylamino)-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol
CID 64826060
hydrazinyl 3-[methyl(2-pyridin-4-ylethyl)amino]propanoate
CID 66339679
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
N-tert-butyl-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 61387145
N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine
CID 61286935

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[methyl(2-pyridin-4-ylethyl)amino]pentanoic acid?
The IUPAC name of 2,2-dimethyl-5-[methyl(2-pyridin-4-ylethyl)amino]pentanoic acid (CID 65255191) is 2,2-dimethyl-5-[methyl(2-pyridin-4-ylethyl)amino]pentanoic acid.
What is the SMILES notation for 2,2-dimethyl-5-[methyl(2-pyridin-4-ylethyl)amino]pentanoic acid?
The canonical SMILES for 2,2-dimethyl-5-[methyl(2-pyridin-4-ylethyl)amino]pentanoic acid is CN(CCCC(C)(C)C(=O)O)CCc1ccncc1.
What is the InChIKey of 2,2-dimethyl-5-[methyl(2-pyridin-4-ylethyl)amino]pentanoic acid?
The InChIKey is HPBJKRDTQXPSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,14(18)19)8-4-11-17(3)12-7-13-5-9-16-10-6-13/h5-6,9-10H,4,7-8,11-12H2,1-3H3,(H,18,19).
What are the key properties of 2,2-dimethyl-5-[methyl(2-pyridin-4-ylethyl)amino]pentanoic acid?
2,2-dimethyl-5-[methyl(2-pyridin-4-ylethyl)amino]pentanoic acid has a molecular weight of 264.37 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[methyl(2-pyridin-4-ylethyl)amino]pentanoic acid is sourced from PubChem (CID 65255191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).