6-[1,3-bis(dimethylamino)propan-2-yloxy]hexanoic acid

C13H28N2O3 — CID 59853376

IUPAC6-[1,3-bis(dimethylamino)propan-2-yloxy]hexanoic acid
SMILESCN(C)CC(CN(C)C)OCCCCCC(=O)O
InChIInChI=1S/C13H28N2O3/c1-14(2)10-12(11-15(3)4)18-9-7-5-6-8-13(16)17/h12H,5-11H2,1-4H3,(H,16,17)
InChIKeyWUUCQBQHXRGCAK-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.14
Rot. Bonds11

About 6-[1,3-bis(dimethylamino)propan-2-yloxy]hexanoic acid

6-[1,3-bis(dimethylamino)propan-2-yloxy]hexanoic acid (PubChem CID 59853376) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 6-[1,3-bis(dimethylamino)propan-2-yloxy]hexanoic acid.

Molecular Properties

Compound Name6-[1,3-bis(dimethylamino)propan-2-yloxy]hexanoic acid
PubChem CID59853376
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name6-[1,3-bis(dimethylamino)propan-2-yloxy]hexanoic acid
SMILESCN(C)CC(CN(C)C)OCCCCCC(=O)O
InChIInChI=1S/C13H28N2O3/c1-14(2)10-12(11-15(3)4)18-9-7-5-6-8-13(16)17/h12H,5-11H2,1-4H3,(H,16,17)
InChIKeyWUUCQBQHXRGCAK-UHFFFAOYSA-N
XLogP1.14
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(dimethylamino)propoxy]undecanedioic acid;hydrochloride
CID 171629245
9-[4-(dimethylamino)butoxy]heptadecanedioic acid;9-[4-(dimethylamino)butoxy]heptadecanedioyl dichloride
CID 167601961
15-tetradecoxyoctacosanoic acid
CID 123678388
6-(difluoromethoxy)hexanoic acid
CID 169119011
4-pentadecan-8-yloxybutanoic acid
CID 138728813
8-[3-(dimethylamino)-2-[8-(3-oxononanoyloxy)octoxy]propoxy]octyl 3-oxononanoate
CID 58070161
(4S)-5-(dimethylamino)-4-methoxypentanoic acid;ethane
CID 144850884
methanol;tridecanedioic acid
CID 175511493
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033

Frequently Asked Questions

What is the IUPAC name of 6-[1,3-bis(dimethylamino)propan-2-yloxy]hexanoic acid?
The IUPAC name of 6-[1,3-bis(dimethylamino)propan-2-yloxy]hexanoic acid (CID 59853376) is 6-[1,3-bis(dimethylamino)propan-2-yloxy]hexanoic acid.
What is the SMILES notation for 6-[1,3-bis(dimethylamino)propan-2-yloxy]hexanoic acid?
The canonical SMILES for 6-[1,3-bis(dimethylamino)propan-2-yloxy]hexanoic acid is CN(C)CC(CN(C)C)OCCCCCC(=O)O.
What is the InChIKey of 6-[1,3-bis(dimethylamino)propan-2-yloxy]hexanoic acid?
The InChIKey is WUUCQBQHXRGCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-14(2)10-12(11-15(3)4)18-9-7-5-6-8-13(16)17/h12H,5-11H2,1-4H3,(H,16,17).
What are the key properties of 6-[1,3-bis(dimethylamino)propan-2-yloxy]hexanoic acid?
6-[1,3-bis(dimethylamino)propan-2-yloxy]hexanoic acid has a molecular weight of 260.38 g/mol, XLogP of 1.14, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1,3-bis(dimethylamino)propan-2-yloxy]hexanoic acid is sourced from PubChem (CID 59853376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).