6-(dimethylamino)hexanoic acid

C8H17NO2 — CID 14052847

IUPAC6-(dimethylamino)hexanoic acid
SMILESCN(C)CCCCCC(=O)O
InChIInChI=1S/C8H17NO2/c1-9(2)7-5-3-4-6-8(10)11/h3-7H2,1-2H3,(H,10,11)
InChIKeySWCSXNZBAVHUMT-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.19
Rot. Bonds6

About 6-(dimethylamino)hexanoic acid

6-(dimethylamino)hexanoic acid (PubChem CID 14052847) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 6-(dimethylamino)hexanoic acid.

Molecular Properties

Compound Name6-(dimethylamino)hexanoic acid
PubChem CID14052847
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name6-(dimethylamino)hexanoic acid
SMILESCN(C)CCCCCC(=O)O
InChIInChI=1S/C8H17NO2/c1-9(2)7-5-3-4-6-8(10)11/h3-7H2,1-2H3,(H,10,11)
InChIKeySWCSXNZBAVHUMT-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Octadecanoic acid, compd. with N,N-dimethyl-1-octadecanamine (1:1)
CID 84620
4-carboxy-N,N,N-trimethyl-1-butanaminium chloride
CID 70693161
Hexadecanoic acid, compd. with N,N-dimethyl-1-octadecanamine (1:1)
CID 44145843
Tetradecanoic acid, compd. with N,N-dimethyl-1-octadecanamine (1:1)
CID 44150070
Dodecanoic acid, compd. with N,N-dimethyl-1-octadecanamine (1:1)
CID 57346625
2,2,6,6-Tetramethyllysine
CID 124784
n,n-Dimethylnorleucine
CID 224392
6-(Trimethylazaniumyl)hexanoate
CID 13257220
5-Carboxy-N,N,N-trimethylpentan-1-aminium chloride
CID 70695230
6-Dimethylamino-4-ketohexanoic acid
CID 415638
1-Pentanaminium, 5-carboxy-N,N,N-triethyl-, chloride
CID 10332420
6-Carboxyhexyl(trimethyl)azanium chloride
CID 70691025

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)hexanoic acid?
The IUPAC name of 6-(dimethylamino)hexanoic acid (CID 14052847) is 6-(dimethylamino)hexanoic acid.
What is the SMILES notation for 6-(dimethylamino)hexanoic acid?
The canonical SMILES for 6-(dimethylamino)hexanoic acid is CN(C)CCCCCC(=O)O.
What is the InChIKey of 6-(dimethylamino)hexanoic acid?
The InChIKey is SWCSXNZBAVHUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-9(2)7-5-3-4-6-8(10)11/h3-7H2,1-2H3,(H,10,11).
What are the key properties of 6-(dimethylamino)hexanoic acid?
6-(dimethylamino)hexanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)hexanoic acid is sourced from PubChem (CID 14052847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).