[5-(2-propoxyethoxy)-2-pyridinyl]methanamine

C11H18N2O2 — CID 115487193

IUPAC[5-(2-propoxyethoxy)-2-pyridinyl]methanamine
SMILESCCCOCCOc1ccc(CN)nc1
InChIInChI=1S/C11H18N2O2/c1-2-5-14-6-7-15-11-4-3-10(8-12)13-9-11/h3-4,9H,2,5-8,12H2,1H3
InChIKeyABUNPAJIWKSSDW-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.35
Rot. Bonds7

About [5-(2-propoxyethoxy)-2-pyridinyl]methanamine

[5-(2-propoxyethoxy)-2-pyridinyl]methanamine (PubChem CID 115487193) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is [5-(2-propoxyethoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(2-propoxyethoxy)-2-pyridinyl]methanamine
PubChem CID115487193
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name[5-(2-propoxyethoxy)-2-pyridinyl]methanamine
SMILESCCCOCCOc1ccc(CN)nc1
InChIInChI=1S/C11H18N2O2/c1-2-5-14-6-7-15-11-4-3-10(8-12)13-9-11/h3-4,9H,2,5-8,12H2,1H3
InChIKeyABUNPAJIWKSSDW-UHFFFAOYSA-N
XLogP1.35
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.35
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

(5-butoxy-2-pyridinyl)methanamine
CID 79787452
(1S)-1-[5-(2-propoxyethoxy)-2-pyridinyl]propan-1-amine
CID 113355207
2-bromo-5-(2-propoxyethoxy)pyridine
CID 107396761
2-(5-butoxy-2-pyridinyl)ethanamine
CID 79799974
[5-(2-ethoxyethoxy)-2-pyridinyl]methanol
CID 23467162
4-[[6-(aminomethyl)-3-pyridinyl]oxy]butan-1-ol
CID 79776110
[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]methanol
CID 104564081
(1S)-1-[5-(2-butoxyethoxy)-2-pyridinyl]ethanamine
CID 83123515
[5-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]methyl acetate
CID 122423779
1-[5-(2-propoxyethoxy)-2-pyridinyl]-N-propylpropan-1-amine
CID 115940129
1-(5-propoxy-2-pyridinyl)butan-2-amine
CID 79795245
1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene
CID 58462382

Frequently Asked Questions

What is the IUPAC name of [5-(2-propoxyethoxy)-2-pyridinyl]methanamine?
The IUPAC name of [5-(2-propoxyethoxy)-2-pyridinyl]methanamine (CID 115487193) is [5-(2-propoxyethoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [5-(2-propoxyethoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [5-(2-propoxyethoxy)-2-pyridinyl]methanamine is CCCOCCOc1ccc(CN)nc1.
What is the InChIKey of [5-(2-propoxyethoxy)-2-pyridinyl]methanamine?
The InChIKey is ABUNPAJIWKSSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-5-14-6-7-15-11-4-3-10(8-12)13-9-11/h3-4,9H,2,5-8,12H2,1H3.
What are the key properties of [5-(2-propoxyethoxy)-2-pyridinyl]methanamine?
[5-(2-propoxyethoxy)-2-pyridinyl]methanamine has a molecular weight of 210.28 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-propoxyethoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 115487193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).