3-[2-(diethylamino)ethylamino]-2,2,3-trimethylbutanoic acid

C13H28N2O2 — CID 65265735

IUPAC3-[2-(diethylamino)ethylamino]-2,2,3-trimethylbutanoic acid
SMILESCCN(CC)CCNC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H28N2O2/c1-7-15(8-2)10-9-14-13(5,6)12(3,4)11(16)17/h14H,7-10H2,1-6H3,(H,16,17)
InChIKeyQTYQZUSSZWFDAF-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.81
Rot. Bonds8

About 3-[2-(diethylamino)ethylamino]-2,2,3-trimethylbutanoic acid

3-[2-(diethylamino)ethylamino]-2,2,3-trimethylbutanoic acid (PubChem CID 65265735) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethylamino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[2-(diethylamino)ethylamino]-2,2,3-trimethylbutanoic acid
PubChem CID65265735
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name3-[2-(diethylamino)ethylamino]-2,2,3-trimethylbutanoic acid
SMILESCCN(CC)CCNC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H28N2O2/c1-7-15(8-2)10-9-14-13(5,6)12(3,4)11(16)17/h14H,7-10H2,1-6H3,(H,16,17)
InChIKeyQTYQZUSSZWFDAF-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

3-[2-(diethylamino)ethylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 65265934
methyl 2-[2-(diethylamino)ethylamino]-2-methylpropanoate
CID 60994914
2-[2-(diethylamino)ethylamino]-2-(4-methylphenyl)propanoic acid
CID 60994645
methyl 2-[2-(diethylamino)ethylamino]-2-methylbutanoate
CID 60994649
N-tert-butyl-N',N'-diethylethane-1,2-diamine;molecular hydrogen
CID 142350039
3-(diethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265975
2-[2-(diethylamino)ethylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852678
2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)propanoic acid
CID 60994370
3-[[ethyl(propyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266331
2-[2-(diethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide
CID 66180822
2,2,3-trimethyl-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]butanoic acid
CID 65265112
2-[2-(tert-butylamino)ethyl-ethylamino]-N,N-dimethylacetamide
CID 107446461

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethylamino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[2-(diethylamino)ethylamino]-2,2,3-trimethylbutanoic acid (CID 65265735) is 3-[2-(diethylamino)ethylamino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[2-(diethylamino)ethylamino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[2-(diethylamino)ethylamino]-2,2,3-trimethylbutanoic acid is CCN(CC)CCNC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 3-[2-(diethylamino)ethylamino]-2,2,3-trimethylbutanoic acid?
The InChIKey is QTYQZUSSZWFDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-7-15(8-2)10-9-14-13(5,6)12(3,4)11(16)17/h14H,7-10H2,1-6H3,(H,16,17).
What are the key properties of 3-[2-(diethylamino)ethylamino]-2,2,3-trimethylbutanoic acid?
3-[2-(diethylamino)ethylamino]-2,2,3-trimethylbutanoic 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 3-[2-(diethylamino)ethylamino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65265735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).