2-methyl-6-(methylamino)hexanoic acid

C8H17NO2 — CID 20675248

IUPAC2-methyl-6-(methylamino)hexanoic acid
SMILESCNCCCCC(C)C(=O)O
InChIInChI=1S/C8H17NO2/c1-7(8(10)11)5-3-4-6-9-2/h7,9H,3-6H2,1-2H3,(H,10,11)
InChIKeyYJOBKJGFATZWBP-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.10
Rot. Bonds6

About 2-methyl-6-(methylamino)hexanoic acid

2-methyl-6-(methylamino)hexanoic acid (PubChem CID 20675248) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-methyl-6-(methylamino)hexanoic acid.

Molecular Properties

Compound Name2-methyl-6-(methylamino)hexanoic acid
PubChem CID20675248
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-methyl-6-(methylamino)hexanoic acid
SMILESCNCCCCC(C)C(=O)O
InChIInChI=1S/C8H17NO2/c1-7(8(10)11)5-3-4-6-9-2/h7,9H,3-6H2,1-2H3,(H,10,11)
InChIKeyYJOBKJGFATZWBP-UHFFFAOYSA-N
XLogP1.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(methylamino)hexanoic acid?
The IUPAC name of 2-methyl-6-(methylamino)hexanoic acid (CID 20675248) is 2-methyl-6-(methylamino)hexanoic acid.
What is the SMILES notation for 2-methyl-6-(methylamino)hexanoic acid?
The canonical SMILES for 2-methyl-6-(methylamino)hexanoic acid is CNCCCCC(C)C(=O)O.
What is the InChIKey of 2-methyl-6-(methylamino)hexanoic acid?
The InChIKey is YJOBKJGFATZWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7(8(10)11)5-3-4-6-9-2/h7,9H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 2-methyl-6-(methylamino)hexanoic acid?
2-methyl-6-(methylamino)hexanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(methylamino)hexanoic acid is sourced from PubChem (CID 20675248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).