2-[2-(dimethylamino)ethylamino]-2,4-dimethylpentanoic acid

C11H24N2O2 — CID 61001781

IUPAC2-[2-(dimethylamino)ethylamino]-2,4-dimethylpentanoic acid
SMILESCC(C)CC(C)(NCCN(C)C)C(=O)O
InChIInChI=1S/C11H24N2O2/c1-9(2)8-11(3,10(14)15)12-6-7-13(4)5/h9,12H,6-8H2,1-5H3,(H,14,15)
InChIKeyQWCGABAPCIJRJV-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.03
Rot. Bonds7

About 2-[2-(dimethylamino)ethylamino]-2,4-dimethylpentanoic acid

2-[2-(dimethylamino)ethylamino]-2,4-dimethylpentanoic acid (PubChem CID 61001781) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-2,4-dimethylpentanoic acid
PubChem CID61001781
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name2-[2-(dimethylamino)ethylamino]-2,4-dimethylpentanoic acid
SMILESCC(C)CC(C)(NCCN(C)C)C(=O)O
InChIInChI=1S/C11H24N2O2/c1-9(2)8-11(3,10(14)15)12-6-7-13(4)5/h9,12H,6-8H2,1-5H3,(H,14,15)
InChIKeyQWCGABAPCIJRJV-UHFFFAOYSA-N
XLogP1.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]pentanoic acid
CID 115002535
2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid
CID 61001424
2,4-dimethyl-2-(prop-2-enylamino)pentanoic acid
CID 61341230
2-(2-ethoxyethylamino)-2,4-dimethylpentanoic acid
CID 114989242
2-[2-(2-methoxyethoxy)ethylamino]-2,4-dimethylpentanoic acid
CID 114999552
2-[2-(2-hydroxyethoxy)ethylamino]-2,4-dimethylpentanoic acid
CID 115000691
2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoic acid
CID 64725842
4-[ethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64727424
(2R)-2-acetamido-2,4-dimethylpentanoic acid
CID 22858890
4-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanoic acid
CID 102996545
2-[2-(dimethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide
CID 66178459
N-[2-(dimethylamino)ethyl]-2,4-dimethyl-2-propan-2-ylpentanamide
CID 166995281

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-2,4-dimethylpentanoic acid?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-2,4-dimethylpentanoic acid (CID 61001781) is 2-[2-(dimethylamino)ethylamino]-2,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-2,4-dimethylpentanoic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-2,4-dimethylpentanoic acid is CC(C)CC(C)(NCCN(C)C)C(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-2,4-dimethylpentanoic acid?
The InChIKey is QWCGABAPCIJRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-9(2)8-11(3,10(14)15)12-6-7-13(4)5/h9,12H,6-8H2,1-5H3,(H,14,15).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-2,4-dimethylpentanoic acid?
2-[2-(dimethylamino)ethylamino]-2,4-dimethylpentanoic acid has a molecular weight of 216.32 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-2,4-dimethylpentanoic acid is sourced from PubChem (CID 61001781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).