2,2-dimethoxy-N-(pyridin-4-ylmethyl)ethanamine

C10H16N2O2 — CID 60663243

IUPAC2,2-dimethoxy-N-(pyridin-4-ylmethyl)ethanamine
SMILESCOC(CNCc1ccncc1)OC
InChIInChI=1S/C10H16N2O2/c1-13-10(14-2)8-12-7-9-3-5-11-6-4-9/h3-6,10,12H,7-8H2,1-2H3
InChIKeyIWPXKQCAWYOCJG-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.79
Rot. Bonds6

About 2,2-dimethoxy-N-(pyridin-4-ylmethyl)ethanamine

2,2-dimethoxy-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 60663243) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2,2-dimethoxy-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2-dimethoxy-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID60663243
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2,2-dimethoxy-N-(pyridin-4-ylmethyl)ethanamine
SMILESCOC(CNCc1ccncc1)OC
InChIInChI=1S/C10H16N2O2/c1-13-10(14-2)8-12-7-9-3-5-11-6-4-9/h3-6,10,12H,7-8H2,1-2H3
InChIKeyIWPXKQCAWYOCJG-UHFFFAOYSA-N
XLogP0.79
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.79
H-Bond Donors ≤ 51
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

N-[(4-tert-butylphenyl)methyl]-2,2-dimethoxyethanamine
CID 44668483
(2S)-1-(pyridin-4-ylmethylamino)propan-2-ol
CID 964925
2,2-dimethoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]ethanamine
CID 63696732
2-N,2-N-dimethyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 61044403
1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide
CID 156593877
methyl 4-[(2-pyridin-4-ylethylamino)methyl]benzoate
CID 60649467
N-[(3-bromophenyl)methyl]-2,2-dimethoxyethanamine
CID 60657346
molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine
CID 145190725
3-(2-methoxyethoxy)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 28720665
1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 4723379
3-[(pyridin-4-ylmethylamino)methyl]hexan-1-ol
CID 111470632
(2R,3R,4R,5S)-6-(pyridin-4-ylmethylamino)hexane-1,2,3,4,5-pentol
CID 22797318

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of 2,2-dimethoxy-N-(pyridin-4-ylmethyl)ethanamine (CID 60663243) is 2,2-dimethoxy-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for 2,2-dimethoxy-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for 2,2-dimethoxy-N-(pyridin-4-ylmethyl)ethanamine is COC(CNCc1ccncc1)OC.
What is the InChIKey of 2,2-dimethoxy-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is IWPXKQCAWYOCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-13-10(14-2)8-12-7-9-3-5-11-6-4-9/h3-6,10,12H,7-8H2,1-2H3.
What are the key properties of 2,2-dimethoxy-N-(pyridin-4-ylmethyl)ethanamine?
2,2-dimethoxy-N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 196.25 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 60663243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).