2-ethyl-2-[ethyl(methyl)amino]-4-methylhexanoic acid

C12H25NO2 — CID 114989090

IUPAC2-ethyl-2-[ethyl(methyl)amino]-4-methylhexanoic acid
SMILESCCC(C)CC(CC)(C(=O)O)N(C)CC
InChIInChI=1S/C12H25NO2/c1-6-10(4)9-12(7-2,11(14)15)13(5)8-3/h10H,6-9H2,1-5H3,(H,14,15)
InChIKeyMHPMFHGVPJWFKE-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.61
Rot. Bonds7

About 2-ethyl-2-[ethyl(methyl)amino]-4-methylhexanoic acid

2-ethyl-2-[ethyl(methyl)amino]-4-methylhexanoic acid (PubChem CID 114989090) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-ethyl-2-[ethyl(methyl)amino]-4-methylhexanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[ethyl(methyl)amino]-4-methylhexanoic acid
PubChem CID114989090
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-ethyl-2-[ethyl(methyl)amino]-4-methylhexanoic acid
SMILESCCC(C)CC(CC)(C(=O)O)N(C)CC
InChIInChI=1S/C12H25NO2/c1-6-10(4)9-12(7-2,11(14)15)13(5)8-3/h10H,6-9H2,1-5H3,(H,14,15)
InChIKeyMHPMFHGVPJWFKE-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethyl(methyl)amino]-2-ethyl-4-methylhexanoic acid
CID 114991466
N-ethyl-N,3,5-trimethylheptan-3-amine
CID 155392706
2,2,4-trimethylhexanoic acid
CID 15564208
2-ethyl-2-[2-methylpropyl(propan-2-yl)amino]butanoic acid
CID 114996711
2-ethyl-2-[methyl(4-methylpentan-2-yl)amino]butanoic acid
CID 114996709
2-ethyl-4-methyl-2-(methylamino)hexanoic acid
CID 43753669
2-[ethyl(3-methylpentanoyl)amino]-2-methylpropanoic acid
CID 114873698
2-acetamido-2-ethyl-4-methylhexanoic acid
CID 63702394
carbonic acid;3-methylpentane
CID 173481374
3-ethyl-3-hydroxy-2,5-dimethylheptanoic acid
CID 62398612
2-[cyclopropylmethyl(methyl)amino]-2-ethylbutanoic acid
CID 114987688
4-ethyl-2-methyl-4-[methyl(propan-2-yl)amino]hexan-3-one
CID 161192444

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[ethyl(methyl)amino]-4-methylhexanoic acid?
The IUPAC name of 2-ethyl-2-[ethyl(methyl)amino]-4-methylhexanoic acid (CID 114989090) is 2-ethyl-2-[ethyl(methyl)amino]-4-methylhexanoic acid.
What is the SMILES notation for 2-ethyl-2-[ethyl(methyl)amino]-4-methylhexanoic acid?
The canonical SMILES for 2-ethyl-2-[ethyl(methyl)amino]-4-methylhexanoic acid is CCC(C)CC(CC)(C(=O)O)N(C)CC.
What is the InChIKey of 2-ethyl-2-[ethyl(methyl)amino]-4-methylhexanoic acid?
The InChIKey is MHPMFHGVPJWFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-10(4)9-12(7-2,11(14)15)13(5)8-3/h10H,6-9H2,1-5H3,(H,14,15).
What are the key properties of 2-ethyl-2-[ethyl(methyl)amino]-4-methylhexanoic acid?
2-ethyl-2-[ethyl(methyl)amino]-4-methylhexanoic acid has a molecular weight of 215.34 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[ethyl(methyl)amino]-4-methylhexanoic acid is sourced from PubChem (CID 114989090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).