4-(dimethylamino)-2-methylhexanoic acid

C9H19NO2 — CID 116908233

IUPAC4-(dimethylamino)-2-methylhexanoic acid
SMILESCCC(CC(C)C(=O)O)N(C)C
InChIInChI=1S/C9H19NO2/c1-5-8(10(3)4)6-7(2)9(11)12/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyGJGMVRNWWSPDCO-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.44
Rot. Bonds5

About 4-(dimethylamino)-2-methylhexanoic acid

4-(dimethylamino)-2-methylhexanoic acid (PubChem CID 116908233) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-(dimethylamino)-2-methylhexanoic acid.

Molecular Properties

Compound Name4-(dimethylamino)-2-methylhexanoic acid
PubChem CID116908233
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name4-(dimethylamino)-2-methylhexanoic acid
SMILESCCC(CC(C)C(=O)O)N(C)C
InChIInChI=1S/C9H19NO2/c1-5-8(10(3)4)6-7(2)9(11)12/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyGJGMVRNWWSPDCO-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Trimethylammonio)pentanoic Acid
CID 73167559
3-(Dimethylamino)cyclohexane-1-carboxylic acid
CID 22449123
Acetic acid, 1-butyl-3-piperidyl ester
CID 144400
2-Fluoro-2-(1-propan-2-ylpiperidin-3-yl)acetic acid
CID 105455439
2-(1-Ethylpiperidin-3-yl)acetic acid
CID 17934565
5-Methyl-4-(propan-2-ylamino)hexanoic acid
CID 20680987
2-Methyl-6-[methyl(propan-2-yl)amino]hexanoic acid
CID 20738446
5-Ethyl-1-methylpyrrolidine-3-carboxylic acid
CID 20810105
2-[2-(Diethylamino)ethyl]hexanoic acid
CID 21278680
2-Methyl-4-(2-oxopyrrolidin-1-yl)hexanoic acid
CID 22091040
[1,4-Dicarboxy-3-(carboxymethyl)butan-2-yl]-trimethylazanium
CID 22608804
3-(1-Isopropyl-4-piperidyl)propanoic acid
CID 23062685

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-methylhexanoic acid?
The IUPAC name of 4-(dimethylamino)-2-methylhexanoic acid (CID 116908233) is 4-(dimethylamino)-2-methylhexanoic acid.
What is the SMILES notation for 4-(dimethylamino)-2-methylhexanoic acid?
The canonical SMILES for 4-(dimethylamino)-2-methylhexanoic acid is CCC(CC(C)C(=O)O)N(C)C.
What is the InChIKey of 4-(dimethylamino)-2-methylhexanoic acid?
The InChIKey is GJGMVRNWWSPDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-8(10(3)4)6-7(2)9(11)12/h7-8H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 4-(dimethylamino)-2-methylhexanoic acid?
4-(dimethylamino)-2-methylhexanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-methylhexanoic acid is sourced from PubChem (CID 116908233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).