2-[2,2-dimethylpropyl(methyl)amino]-2,5-dimethylhexanoic acid

C14H29NO2 — CID 114999892

IUPAC2-[2,2-dimethylpropyl(methyl)amino]-2,5-dimethylhexanoic acid
SMILESCC(C)CCC(C)(C(=O)O)N(C)CC(C)(C)C
InChIInChI=1S/C14H29NO2/c1-11(2)8-9-14(6,12(16)17)15(7)10-13(3,4)5/h11H,8-10H2,1-7H3,(H,16,17)
InChIKeyLBXGHRMWHBQVDL-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.24
Rot. Bonds6

About 2-[2,2-dimethylpropyl(methyl)amino]-2,5-dimethylhexanoic acid

2-[2,2-dimethylpropyl(methyl)amino]-2,5-dimethylhexanoic acid (PubChem CID 114999892) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-[2,2-dimethylpropyl(methyl)amino]-2,5-dimethylhexanoic acid.

Molecular Properties

Compound Name2-[2,2-dimethylpropyl(methyl)amino]-2,5-dimethylhexanoic acid
PubChem CID114999892
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-[2,2-dimethylpropyl(methyl)amino]-2,5-dimethylhexanoic acid
SMILESCC(C)CCC(C)(C(=O)O)N(C)CC(C)(C)C
InChIInChI=1S/C14H29NO2/c1-11(2)8-9-14(6,12(16)17)15(7)10-13(3,4)5/h11H,8-10H2,1-7H3,(H,16,17)
InChIKeyLBXGHRMWHBQVDL-UHFFFAOYSA-N
XLogP3.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethylpropyl(methyl)amino]-2,5-dimethylhexanoic acid?
The IUPAC name of 2-[2,2-dimethylpropyl(methyl)amino]-2,5-dimethylhexanoic acid (CID 114999892) is 2-[2,2-dimethylpropyl(methyl)amino]-2,5-dimethylhexanoic acid.
What is the SMILES notation for 2-[2,2-dimethylpropyl(methyl)amino]-2,5-dimethylhexanoic acid?
The canonical SMILES for 2-[2,2-dimethylpropyl(methyl)amino]-2,5-dimethylhexanoic acid is CC(C)CCC(C)(C(=O)O)N(C)CC(C)(C)C.
What is the InChIKey of 2-[2,2-dimethylpropyl(methyl)amino]-2,5-dimethylhexanoic acid?
The InChIKey is LBXGHRMWHBQVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-11(2)8-9-14(6,12(16)17)15(7)10-13(3,4)5/h11H,8-10H2,1-7H3,(H,16,17).
What are the key properties of 2-[2,2-dimethylpropyl(methyl)amino]-2,5-dimethylhexanoic acid?
2-[2,2-dimethylpropyl(methyl)amino]-2,5-dimethylhexanoic acid has a molecular weight of 243.39 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethylpropyl(methyl)amino]-2,5-dimethylhexanoic acid is sourced from PubChem (CID 114999892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).