[3-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methanamine

C12H20N2O3 — CID 103176702

IUPAC[3-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methanamine
SMILESCOCCCOCCOc1cnccc1CN
InChIInChI=1S/C12H20N2O3/c1-15-5-2-6-16-7-8-17-12-10-14-4-3-11(12)9-13/h3-4,10H,2,5-9,13H2,1H3
InChIKeyLIARHYLPYXSCGP-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.97
Rot. Bonds9

About [3-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methanamine

[3-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methanamine (PubChem CID 103176702) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is [3-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methanamine
PubChem CID103176702
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name[3-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methanamine
SMILESCOCCCOCCOc1cnccc1CN
InChIInChI=1S/C12H20N2O3/c1-15-5-2-6-16-7-8-17-12-10-14-4-3-11(12)9-13/h3-4,10H,2,5-9,13H2,1H3
InChIKeyLIARHYLPYXSCGP-UHFFFAOYSA-N
XLogP0.97
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.97
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

N-[[3-[3-(2-methoxyethoxy)propoxy]-4-pyridinyl]methyl]ethanamine
CID 103405777
5-[2-(3-methoxypropoxy)ethoxy]isoquinolin-8-amine
CID 103176845
4-[2-(2-methoxyethoxy)ethoxy]pyridin-3-amine
CID 104559949
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788
[2-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]methanamine
CID 103177032
3-[3-(3-methoxypropoxy)propyl]pyridin-4-amine
CID 103184229
N-[[4-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103405855
N-[[3-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075013
[6-[2-(3-methoxypropoxy)ethoxy]pyrazin-2-yl]methanamine
CID 103180853
2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 60918283
6-[2-(3-methoxypropoxy)ethoxy]pyridin-3-amine
CID 103176771
N-[[4-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 103405852

Frequently Asked Questions

What is the IUPAC name of [3-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methanamine?
The IUPAC name of [3-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methanamine (CID 103176702) is [3-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methanamine.
What is the SMILES notation for [3-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methanamine?
The canonical SMILES for [3-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methanamine is COCCCOCCOc1cnccc1CN.
What is the InChIKey of [3-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methanamine?
The InChIKey is LIARHYLPYXSCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-15-5-2-6-16-7-8-17-12-10-14-4-3-11(12)9-13/h3-4,10H,2,5-9,13H2,1H3.
What are the key properties of [3-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methanamine?
[3-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methanamine has a molecular weight of 240.30 g/mol, XLogP of 0.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methanamine is sourced from PubChem (CID 103176702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).