N-[[2-(2-methoxyethoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine

C13H22N2O2 — CID 62292538

IUPACN-[[2-(2-methoxyethoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1c(C)cc(C)nc1OCCOC
InChIInChI=1S/C13H22N2O2/c1-5-14-9-12-10(2)8-11(3)15-13(12)17-7-6-16-4/h8,14H,5-7,9H2,1-4H3
InChIKeyXDGUWHTYAQAIPO-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.83
Rot. Bonds7

About N-[[2-(2-methoxyethoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine

N-[[2-(2-methoxyethoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine (PubChem CID 62292538) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[[2-(2-methoxyethoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-methoxyethoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
PubChem CID62292538
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[[2-(2-methoxyethoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1c(C)cc(C)nc1OCCOC
InChIInChI=1S/C13H22N2O2/c1-5-14-9-12-10(2)8-11(3)15-13(12)17-7-6-16-4/h8,14H,5-7,9H2,1-4H3
InChIKeyXDGUWHTYAQAIPO-UHFFFAOYSA-N
XLogP1.83
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-methoxyethoxy)-4,6-dimethyl-3-pyridinyl]methanol
CID 61257365
N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]ethanamine
CID 62288244
N-[(2-but-2-enoxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine
CID 76938399
N-[(2-hexoxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine
CID 63489847
1-(4,6-dimethyl-2-pentoxy-3-pyridinyl)-N-methylmethanamine
CID 62296147
N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine
CID 62287173
1-[4,6-dimethyl-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]-N-methylmethanamine
CID 62291972
N-[[2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62296113
[2-[2-(3-methoxypropoxy)ethoxy]-4,6-dimethyl-3-pyridinyl]methanamine
CID 103176709
N-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62297821
N-[(2-butoxy-4,6-dimethyl-3-pyridinyl)methyl]cyclopropanamine
CID 62290425
N-[[4,6-dimethyl-2-(oxan-4-yloxy)-3-pyridinyl]methyl]ethanamine
CID 55058614

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyethoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-methoxyethoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine (CID 62292538) is N-[[2-(2-methoxyethoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-methoxyethoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-methoxyethoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine is CCNCc1c(C)cc(C)nc1OCCOC.
What is the InChIKey of N-[[2-(2-methoxyethoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
The InChIKey is XDGUWHTYAQAIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-5-14-9-12-10(2)8-11(3)15-13(12)17-7-6-16-4/h8,14H,5-7,9H2,1-4H3.
What are the key properties of N-[[2-(2-methoxyethoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
N-[[2-(2-methoxyethoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine has a molecular weight of 238.33 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyethoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62292538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).