2-tert-butyl-6-(methylamino)hexanoic acid

C11H23NO2 — CID 87524878

IUPAC2-tert-butyl-6-(methylamino)hexanoic acid
SMILESCNCCCCC(C(=O)O)C(C)(C)C
InChIInChI=1S/C11H23NO2/c1-11(2,3)9(10(13)14)7-5-6-8-12-4/h9,12H,5-8H2,1-4H3,(H,13,14)
InChIKeyLHRVMRWHXXEYFG-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.12
Rot. Bonds6

About 2-tert-butyl-6-(methylamino)hexanoic acid

2-tert-butyl-6-(methylamino)hexanoic acid (PubChem CID 87524878) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-tert-butyl-6-(methylamino)hexanoic acid.

Molecular Properties

Compound Name2-tert-butyl-6-(methylamino)hexanoic acid
PubChem CID87524878
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-tert-butyl-6-(methylamino)hexanoic acid
SMILESCNCCCCC(C(=O)O)C(C)(C)C
InChIInChI=1S/C11H23NO2/c1-11(2,3)9(10(13)14)7-5-6-8-12-4/h9,12H,5-8H2,1-4H3,(H,13,14)
InChIKeyLHRVMRWHXXEYFG-UHFFFAOYSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.12
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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Related Compounds

2-tert-butyl-11-iodoundecanoic acid
CID 88526895
2-tert-butylicosanedioic acid
CID 138542827
7-tert-butyl-2,2-dimethyloctanedioic acid
CID 87586628
2-tert-butyl-8-ethylnonanedioic acid
CID 175160152
(2S)-2-(dimethylamino)-6-(methylamino)hexanoic acid
CID 54093376
2-tert-butyl-6,6,6-trifluorohexanoic acid
CID 83137658
(2S)-2-amino-6-(methylamino)hexanoic acid;ethane
CID 144761266
(3S)-7-(methylamino)-3-propylheptan-2-one
CID 159849059
6-(methylamino)-2-(methylcarbamoylamino)hexanoic acid
CID 20593439
(4R)-4-(2,2-dimethylpropyl)-2,2-dimethyl-8-(methylamino)octan-3-one
CID 159239549
2-methyl-5-(methylamino)pentanoic acid
CID 59942755
2-tert-butyl-5-hydroxyhexanoic acid
CID 22275994

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(methylamino)hexanoic acid?
The IUPAC name of 2-tert-butyl-6-(methylamino)hexanoic acid (CID 87524878) is 2-tert-butyl-6-(methylamino)hexanoic acid.
What is the SMILES notation for 2-tert-butyl-6-(methylamino)hexanoic acid?
The canonical SMILES for 2-tert-butyl-6-(methylamino)hexanoic acid is CNCCCCC(C(=O)O)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-6-(methylamino)hexanoic acid?
The InChIKey is LHRVMRWHXXEYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-11(2,3)9(10(13)14)7-5-6-8-12-4/h9,12H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 2-tert-butyl-6-(methylamino)hexanoic acid?
2-tert-butyl-6-(methylamino)hexanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(methylamino)hexanoic acid is sourced from PubChem (CID 87524878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).