2,2-diethoxy-N-methyl-N-(pyridin-3-ylmethyl)ethanamine

C13H22N2O2 — CID 55247242

IUPAC2,2-diethoxy-N-methyl-N-(pyridin-3-ylmethyl)ethanamine
SMILESCCOC(CN(C)Cc1cccnc1)OCC
InChIInChI=1S/C13H22N2O2/c1-4-16-13(17-5-2)11-15(3)10-12-7-6-8-14-9-12/h6-9,13H,4-5,10-11H2,1-3H3
InChIKeyNGKBTFJFDGCMCM-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.91
Rot. Bonds8

About 2,2-diethoxy-N-methyl-N-(pyridin-3-ylmethyl)ethanamine

2,2-diethoxy-N-methyl-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 55247242) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2,2-diethoxy-N-methyl-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-methyl-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID55247242
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2,2-diethoxy-N-methyl-N-(pyridin-3-ylmethyl)ethanamine
SMILESCCOC(CN(C)Cc1cccnc1)OCC
InChIInChI=1S/C13H22N2O2/c1-4-16-13(17-5-2)11-15(3)10-12-7-6-8-14-9-12/h6-9,13H,4-5,10-11H2,1-3H3
InChIKeyNGKBTFJFDGCMCM-UHFFFAOYSA-N
XLogP1.91
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 63071613
3-N-methyl-3-N-(pyridin-3-ylmethyl)propane-1,2,3-triamine
CID 115119904
1-N,2-N-dimethyl-1-N-(pyridin-3-ylmethyl)pentane-1,2-diamine
CID 62043801
methyl (2S)-2-methyl-3-[methyl(pyridin-3-ylmethyl)amino]propanoate
CID 93035101
2-ethyl-1-N-methyl-1-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 79813886
N,5-dimethyl-N-(pyridin-3-ylmethyl)hexan-1-amine
CID 59176505
2-(bromomethyl)-N,3,3-trimethyl-N-(pyridin-3-ylmethyl)butan-1-amine
CID 65015832
N'-methyl-1-(4-methylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563325
1-(3-methoxyphenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563312
2-methyl-1-[methyl(pyridin-3-ylmethyl)amino]butan-2-ol
CID 114495365
1-(4-butylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 173272882
2,6-dimethyl-4-[1-[methyl(pyridin-3-ylmethyl)amino]propan-2-yl]phenol
CID 59073565

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-methyl-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 2,2-diethoxy-N-methyl-N-(pyridin-3-ylmethyl)ethanamine (CID 55247242) is 2,2-diethoxy-N-methyl-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2,2-diethoxy-N-methyl-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 2,2-diethoxy-N-methyl-N-(pyridin-3-ylmethyl)ethanamine is CCOC(CN(C)Cc1cccnc1)OCC.
What is the InChIKey of 2,2-diethoxy-N-methyl-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is NGKBTFJFDGCMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-16-13(17-5-2)11-15(3)10-12-7-6-8-14-9-12/h6-9,13H,4-5,10-11H2,1-3H3.
What are the key properties of 2,2-diethoxy-N-methyl-N-(pyridin-3-ylmethyl)ethanamine?
2,2-diethoxy-N-methyl-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 238.33 g/mol, XLogP of 1.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-methyl-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 55247242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).