[6-[3-(2-methoxyethoxy)propoxymethyl]-2-pyridinyl]methanamine

C13H22N2O3 — CID 106908742

IUPAC[6-[3-(2-methoxyethoxy)propoxymethyl]-2-pyridinyl]methanamine
SMILESCOCCOCCCOCc1cccc(CN)n1
InChIInChI=1S/C13H22N2O3/c1-16-8-9-17-6-3-7-18-11-13-5-2-4-12(10-14)15-13/h2,4-5H,3,6-11,14H2,1H3
InChIKeyPWFFOLLOXLTHDW-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.11
Rot. Bonds10

About [6-[3-(2-methoxyethoxy)propoxymethyl]-2-pyridinyl]methanamine

[6-[3-(2-methoxyethoxy)propoxymethyl]-2-pyridinyl]methanamine (PubChem CID 106908742) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is [6-[3-(2-methoxyethoxy)propoxymethyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[3-(2-methoxyethoxy)propoxymethyl]-2-pyridinyl]methanamine
PubChem CID106908742
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name[6-[3-(2-methoxyethoxy)propoxymethyl]-2-pyridinyl]methanamine
SMILESCOCCOCCCOCc1cccc(CN)n1
InChIInChI=1S/C13H22N2O3/c1-16-8-9-17-6-3-7-18-11-13-5-2-4-12(10-14)15-13/h2,4-5H,3,6-11,14H2,1H3
InChIKeyPWFFOLLOXLTHDW-UHFFFAOYSA-N
XLogP1.11
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[6-(3-phenylpropoxymethyl)-2-pyridinyl]methanamine
CID 106908261
6-(2-butoxyethoxymethyl)pyridin-2-amine
CID 79238771
[2-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]methanamine
CID 103177032
6-[2-(2-methoxyethoxy)ethoxymethyl]-N-propylpyridin-2-amine
CID 104565921
6-[2-[2-[(6-amino-2-pyridinyl)methoxy]ethoxy]ethoxymethyl]pyridin-2-amine
CID 102588999
[6-[3-(2-methoxyethoxy)propoxy]pyridazin-3-yl]methanamine
CID 103405953
[6-(2,2-difluoroethoxymethyl)-2-pyridinyl]methanamine
CID 106908570
2-[4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]ethanamine
CID 103406557
N-[[6-(2-butoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907746
[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine
CID 103401471
[2-[3-(2-methoxyethoxy)propoxymethyl]furan-3-yl]methanamine
CID 103406388
3-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazole
CID 134579597

Frequently Asked Questions

What is the IUPAC name of [6-[3-(2-methoxyethoxy)propoxymethyl]-2-pyridinyl]methanamine?
The IUPAC name of [6-[3-(2-methoxyethoxy)propoxymethyl]-2-pyridinyl]methanamine (CID 106908742) is [6-[3-(2-methoxyethoxy)propoxymethyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [6-[3-(2-methoxyethoxy)propoxymethyl]-2-pyridinyl]methanamine?
The canonical SMILES for [6-[3-(2-methoxyethoxy)propoxymethyl]-2-pyridinyl]methanamine is COCCOCCCOCc1cccc(CN)n1.
What is the InChIKey of [6-[3-(2-methoxyethoxy)propoxymethyl]-2-pyridinyl]methanamine?
The InChIKey is PWFFOLLOXLTHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-16-8-9-17-6-3-7-18-11-13-5-2-4-12(10-14)15-13/h2,4-5H,3,6-11,14H2,1H3.
What are the key properties of [6-[3-(2-methoxyethoxy)propoxymethyl]-2-pyridinyl]methanamine?
[6-[3-(2-methoxyethoxy)propoxymethyl]-2-pyridinyl]methanamine has a molecular weight of 254.33 g/mol, XLogP of 1.11, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(2-methoxyethoxy)propoxymethyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 106908742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).