N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid

C17H20N2O4 — CID 17384893

IUPACN-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
SMILESCN(CCc1ccccn1)Cc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C15H18N2.C2H2O4/c1-17(13-14-7-3-2-4-8-14)12-10-15-9-5-6-11-16-15;3-1(4)2(5)6/h2-9,11H,10,12-13H2,1H3;(H,3,4)(H,5,6)
InChIKeyCPGDMFNDDUJYGS-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.91
Rot. Bonds5

About N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid

N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid (PubChem CID 17384893) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
PubChem CID17384893
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
SMILESCN(CCc1ccccn1)Cc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C15H18N2.C2H2O4/c1-17(13-14-7-3-2-4-8-14)12-10-15-9-5-6-11-16-15;3-1(4)2(5)6/h2-9,11H,10,12-13H2,1H3;(H,3,4)(H,5,6)
InChIKeyCPGDMFNDDUJYGS-UHFFFAOYSA-N
XLogP1.91
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
N-methyl-2-pyridin-2-yl-N-(pyridin-3-ylmethyl)ethanamine
CID 2055754
N-methyl-2-pyridin-2-yl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103438267
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyridin-2-ylethanamine
CID 62419205
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid
CID 43538751
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
[5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-yl]methanol
CID 113372422
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid
CID 90483378
(E)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)but-2-en-1-amine
CID 757307
2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]butanoic acid
CID 55144478
1-(2-chlorophenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone
CID 43228057

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid?
The IUPAC name of N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid (CID 17384893) is N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid.
What is the SMILES notation for N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid?
The canonical SMILES for N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid is CN(CCc1ccccn1)Cc1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid?
The InChIKey is CPGDMFNDDUJYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2.C2H2O4/c1-17(13-14-7-3-2-4-8-14)12-10-15-9-5-6-11-16-15;3-1(4)2(5)6/h2-9,11H,10,12-13H2,1H3;(H,3,4)(H,5,6).
What are the key properties of N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid?
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid has a molecular weight of 316.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid is sourced from PubChem (CID 17384893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).