N,N-dimethyl-2-pyridin-3-yloxyethanamine;oxalic acid

C11H16N2O5 — CID 46877602

IUPACN,N-dimethyl-2-pyridin-3-yloxyethanamine;oxalic acid
SMILESCN(C)CCOc1cccnc1.O=C(O)C(=O)O
InChIInChI=1S/C9H14N2O.C2H2O4/c1-11(2)6-7-12-9-4-3-5-10-8-9;3-1(4)2(5)6/h3-5,8H,6-7H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyXZASQEMVAMVXMK-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.18
Rot. Bonds4

About N,N-dimethyl-2-pyridin-3-yloxyethanamine;oxalic acid

N,N-dimethyl-2-pyridin-3-yloxyethanamine;oxalic acid (PubChem CID 46877602) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is N,N-dimethyl-2-pyridin-3-yloxyethanamine;oxalic acid.

Molecular Properties

Compound NameN,N-dimethyl-2-pyridin-3-yloxyethanamine;oxalic acid
PubChem CID46877602
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC NameN,N-dimethyl-2-pyridin-3-yloxyethanamine;oxalic acid
SMILESCN(C)CCOc1cccnc1.O=C(O)C(=O)O
InChIInChI=1S/C9H14N2O.C2H2O4/c1-11(2)6-7-12-9-4-3-5-10-8-9;3-1(4)2(5)6/h3-5,8H,6-7H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyXZASQEMVAMVXMK-UHFFFAOYSA-N
XLogP0.18
TPSA99.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-pyridin-3-yloxyethanamine;oxalic acid?
The IUPAC name of N,N-dimethyl-2-pyridin-3-yloxyethanamine;oxalic acid (CID 46877602) is N,N-dimethyl-2-pyridin-3-yloxyethanamine;oxalic acid.
What is the SMILES notation for N,N-dimethyl-2-pyridin-3-yloxyethanamine;oxalic acid?
The canonical SMILES for N,N-dimethyl-2-pyridin-3-yloxyethanamine;oxalic acid is CN(C)CCOc1cccnc1.O=C(O)C(=O)O.
What is the InChIKey of N,N-dimethyl-2-pyridin-3-yloxyethanamine;oxalic acid?
The InChIKey is XZASQEMVAMVXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.C2H2O4/c1-11(2)6-7-12-9-4-3-5-10-8-9;3-1(4)2(5)6/h3-5,8H,6-7H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N,N-dimethyl-2-pyridin-3-yloxyethanamine;oxalic acid?
N,N-dimethyl-2-pyridin-3-yloxyethanamine;oxalic acid has a molecular weight of 256.26 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-pyridin-3-yloxyethanamine;oxalic acid is sourced from PubChem (CID 46877602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).