3-(dimethylamino)propyl 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetate;hydrochloride

C15H25ClN2O3 — CID 110168512

IUPAC3-(dimethylamino)propyl 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetate;hydrochloride
SMILESCCc1nc(C)ccc1OCC(=O)OCCCN(C)C.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-5-13-14(8-7-12(2)16-13)20-11-15(18)19-10-6-9-17(3)4;/h7-8H,5-6,9-11H2,1-4H3;1H
InChIKeyNQVWGNLTFVFFLU-UHFFFAOYSA-N
MW316.83 g/mol
LogP2.25
Rot. Bonds8

About 3-(dimethylamino)propyl 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetate;hydrochloride

3-(dimethylamino)propyl 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetate;hydrochloride (PubChem CID 110168512) has the molecular formula C15H25ClN2O3 and a molecular weight of 316.83 g/mol. Its IUPAC name is 3-(dimethylamino)propyl 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetate;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)propyl 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetate;hydrochloride
PubChem CID110168512
Molecular FormulaC15H25ClN2O3
Molecular Weight316.83 g/mol
Exact Mass316.16
IUPAC Name3-(dimethylamino)propyl 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetate;hydrochloride
SMILESCCc1nc(C)ccc1OCC(=O)OCCCN(C)C.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-5-13-14(8-7-12(2)16-13)20-11-15(18)19-10-6-9-17(3)4;/h7-8H,5-6,9-11H2,1-4H3;1H
InChIKeyNQVWGNLTFVFFLU-UHFFFAOYSA-N
XLogP2.25
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 114524856
[3-[3-(dimethylamino)propoxy]-6-methyl-2-pyridinyl]methanol
CID 114525688
3-(dimethylamino)propyl 2-(4-methoxyphenoxy)acetate;hydrochloride
CID 2928947
ethyl 2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]acetate
CID 79151521
3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]propanoic acid
CID 103174229
ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]acetate
CID 79169666
butyl 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetate
CID 60626235
methyl 2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]acetate
CID 79151411
3-[3-(dimethylamino)propoxy]-6-methylpyridin-2-amine
CID 114524613
ethyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]acetate
CID 79150917
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-ol
CID 103175334
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-amine
CID 103174470

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propyl 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetate;hydrochloride?
The IUPAC name of 3-(dimethylamino)propyl 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetate;hydrochloride (CID 110168512) is 3-(dimethylamino)propyl 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetate;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)propyl 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetate;hydrochloride?
The canonical SMILES for 3-(dimethylamino)propyl 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetate;hydrochloride is CCc1nc(C)ccc1OCC(=O)OCCCN(C)C.Cl.
What is the InChIKey of 3-(dimethylamino)propyl 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetate;hydrochloride?
The InChIKey is NQVWGNLTFVFFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3.ClH/c1-5-13-14(8-7-12(2)16-13)20-11-15(18)19-10-6-9-17(3)4;/h7-8H,5-6,9-11H2,1-4H3;1H.
What are the key properties of 3-(dimethylamino)propyl 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetate;hydrochloride?
3-(dimethylamino)propyl 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetate;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 2.25, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propyl 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetate;hydrochloride is sourced from PubChem (CID 110168512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).