2,4-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]pentanoic acid

C13H28N2O2 — CID 115002535

IUPAC2,4-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]pentanoic acid
SMILESCC(C)CC(C)(NCCN(C)C(C)C)C(=O)O
InChIInChI=1S/C13H28N2O2/c1-10(2)9-13(5,12(16)17)14-7-8-15(6)11(3)4/h10-11,14H,7-9H2,1-6H3,(H,16,17)
InChIKeyLLHLRHAIKSIRPP-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.81
Rot. Bonds8

About 2,4-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]pentanoic acid

2,4-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]pentanoic acid (PubChem CID 115002535) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2,4-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]pentanoic acid.

Molecular Properties

Compound Name2,4-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]pentanoic acid
PubChem CID115002535
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2,4-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]pentanoic acid
SMILESCC(C)CC(C)(NCCN(C)C(C)C)C(=O)O
InChIInChI=1S/C13H28N2O2/c1-10(2)9-13(5,12(16)17)14-7-8-15(6)11(3)4/h10-11,14H,7-9H2,1-6H3,(H,16,17)
InChIKeyLLHLRHAIKSIRPP-UHFFFAOYSA-N
XLogP1.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)ethylamino]-2,4-dimethylpentanoic acid
CID 61001781
2-(2-ethoxyethylamino)-2,4-dimethylpentanoic acid
CID 114989242
2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid
CID 61001424
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
2,4-dimethyl-2-(prop-2-enylamino)pentanoic acid
CID 61341230
4-[ethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64727424
2-methyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid
CID 62635858
2-(ethylamino)-4-[ethyl(methyl)amino]-2-methylpentanoic acid
CID 64727236
(2R)-2-acetamido-2,4-dimethylpentanoic acid
CID 22858890
2-methyl-2-[4-[methyl(propan-2-yl)amino]butylcarbamoylamino]butanoic acid
CID 79801991

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]pentanoic acid?
The IUPAC name of 2,4-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]pentanoic acid (CID 115002535) is 2,4-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]pentanoic acid.
What is the SMILES notation for 2,4-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]pentanoic acid?
The canonical SMILES for 2,4-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]pentanoic acid is CC(C)CC(C)(NCCN(C)C(C)C)C(=O)O.
What is the InChIKey of 2,4-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]pentanoic acid?
The InChIKey is LLHLRHAIKSIRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-10(2)9-13(5,12(16)17)14-7-8-15(6)11(3)4/h10-11,14H,7-9H2,1-6H3,(H,16,17).
What are the key properties of 2,4-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]pentanoic acid?
2,4-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]pentanoic acid has a molecular weight of 244.38 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]pentanoic acid is sourced from PubChem (CID 115002535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).