2-ethyl-4-methyl-2-(methylamino)hexanoic acid

C10H21NO2 — CID 43753669

IUPAC2-ethyl-4-methyl-2-(methylamino)hexanoic acid
SMILESCCC(C)CC(CC)(NC)C(=O)O
InChIInChI=1S/C10H21NO2/c1-5-8(3)7-10(6-2,11-4)9(12)13/h8,11H,5-7H2,1-4H3,(H,12,13)
InChIKeyRKOLQXFSCJVOLH-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.88
Rot. Bonds6

About 2-ethyl-4-methyl-2-(methylamino)hexanoic acid

2-ethyl-4-methyl-2-(methylamino)hexanoic acid (PubChem CID 43753669) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-ethyl-4-methyl-2-(methylamino)hexanoic acid.

Molecular Properties

Compound Name2-ethyl-4-methyl-2-(methylamino)hexanoic acid
PubChem CID43753669
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-ethyl-4-methyl-2-(methylamino)hexanoic acid
SMILESCCC(C)CC(CC)(NC)C(=O)O
InChIInChI=1S/C10H21NO2/c1-5-8(3)7-10(6-2,11-4)9(12)13/h8,11H,5-7H2,1-4H3,(H,12,13)
InChIKeyRKOLQXFSCJVOLH-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetamido-2-ethyl-4-methylhexanoic acid
CID 63702394
2-ethyl-4-methyl-2-(pentylamino)hexanoic acid
CID 114994123
4-methyl-2-(methylamino)-2-(2-methylpropyl)pentanoic acid
CID 114868050
2,2,4-trimethylhexanoic acid
CID 15564208
2,4-dimethyl-2-(methylcarbamoyl)hexanoic acid
CID 114900056
2-ethyl-2-(pentan-3-ylamino)butanoic acid
CID 78969356
2-anilino-2-ethyl-4-methylhexanamide
CID 54889196
2-ethyl-2-(2-propan-2-ylsulfonylethylamino)butanoic acid
CID 106727638
2-ethyl-2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]butanoic acid
CID 79810156
2-ethyl-2-[ethyl(methyl)amino]-4-methylhexanoic acid
CID 114989090
2-(cyclopentylamino)-2-ethyl-4-methylhexanamide
CID 54894558
2-ethyl-5-(1-hydroxypropan-2-ylsulfanyl)-2-(methylamino)pentanoic acid
CID 106807651

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-2-(methylamino)hexanoic acid?
The IUPAC name of 2-ethyl-4-methyl-2-(methylamino)hexanoic acid (CID 43753669) is 2-ethyl-4-methyl-2-(methylamino)hexanoic acid.
What is the SMILES notation for 2-ethyl-4-methyl-2-(methylamino)hexanoic acid?
The canonical SMILES for 2-ethyl-4-methyl-2-(methylamino)hexanoic acid is CCC(C)CC(CC)(NC)C(=O)O.
What is the InChIKey of 2-ethyl-4-methyl-2-(methylamino)hexanoic acid?
The InChIKey is RKOLQXFSCJVOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-8(3)7-10(6-2,11-4)9(12)13/h8,11H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 2-ethyl-4-methyl-2-(methylamino)hexanoic acid?
2-ethyl-4-methyl-2-(methylamino)hexanoic acid has a molecular weight of 187.28 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-2-(methylamino)hexanoic acid is sourced from PubChem (CID 43753669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).