6-(diethylamino)-4-methylhexanoic acid

C11H23NO2 — CID 79695206

IUPAC6-(diethylamino)-4-methylhexanoic acid
SMILESCCN(CC)CCC(C)CCC(=O)O
InChIInChI=1S/C11H23NO2/c1-4-12(5-2)9-8-10(3)6-7-11(13)14/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyPJAIQLQYSBFRPJ-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.22
Rot. Bonds8

About 6-(diethylamino)-4-methylhexanoic acid

6-(diethylamino)-4-methylhexanoic acid (PubChem CID 79695206) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 6-(diethylamino)-4-methylhexanoic acid.

Molecular Properties

Compound Name6-(diethylamino)-4-methylhexanoic acid
PubChem CID79695206
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name6-(diethylamino)-4-methylhexanoic acid
SMILESCCN(CC)CCC(C)CCC(=O)O
InChIInChI=1S/C11H23NO2/c1-4-12(5-2)9-8-10(3)6-7-11(13)14/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyPJAIQLQYSBFRPJ-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-methyloctanoic acid
CID 171811977
5-[3-(diethylamino)propylcarbamoylamino]-4-methylpentanoic acid
CID 82689190
4,8-dimethylundecanoic acid
CID 25230729
4,8-dimethyldodecanoic acid
CID 5282617
4-methyltetradecanoic acid
CID 23454322
4-[ethyl(methyl)amino]pentanoic acid
CID 62214342
6-(5-carboxy-3-methylpentoxy)-4-methylhexanoic acid
CID 87319600
3-[2-carboxyethyl-[2-(diethylamino)ethyl]amino]-2-methylpropanoic acid
CID 82329266
4,8,12-trimethylnonadecanoic acid
CID 141295751
(4R)-4-(dimethylamino)pentanoic acid
CID 92669584
4-(dimethylamino)pentanoic acid
CID 18442969
3-methylhexanedioic acid;dihydrobromide
CID 172737269

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-4-methylhexanoic acid?
The IUPAC name of 6-(diethylamino)-4-methylhexanoic acid (CID 79695206) is 6-(diethylamino)-4-methylhexanoic acid.
What is the SMILES notation for 6-(diethylamino)-4-methylhexanoic acid?
The canonical SMILES for 6-(diethylamino)-4-methylhexanoic acid is CCN(CC)CCC(C)CCC(=O)O.
What is the InChIKey of 6-(diethylamino)-4-methylhexanoic acid?
The InChIKey is PJAIQLQYSBFRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-12(5-2)9-8-10(3)6-7-11(13)14/h10H,4-9H2,1-3H3,(H,13,14).
What are the key properties of 6-(diethylamino)-4-methylhexanoic acid?
6-(diethylamino)-4-methylhexanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-4-methylhexanoic acid is sourced from PubChem (CID 79695206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).