2-methoxy-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine

C12H24N2O2 — CID 103152788

IUPAC2-methoxy-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
SMILESCOCC1=CCN(CCC(CN)OC)CC1
InChIInChI=1S/C12H24N2O2/c1-15-10-11-3-6-14(7-4-11)8-5-12(9-13)16-2/h3,12H,4-10,13H2,1-2H3
InChIKeyNJXABWJXBINVGF-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.63
Rot. Bonds7

About 2-methoxy-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine

2-methoxy-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine (PubChem CID 103152788) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-methoxy-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine.

Molecular Properties

Compound Name2-methoxy-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
PubChem CID103152788
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-methoxy-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
SMILESCOCC1=CCN(CCC(CN)OC)CC1
InChIInChI=1S/C12H24N2O2/c1-15-10-11-3-6-14(7-4-11)8-5-12(9-13)16-2/h3,12H,4-10,13H2,1-2H3
InChIKeyNJXABWJXBINVGF-UHFFFAOYSA-N
XLogP0.63
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine?
The IUPAC name of 2-methoxy-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine (CID 103152788) is 2-methoxy-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine.
What is the SMILES notation for 2-methoxy-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine?
The canonical SMILES for 2-methoxy-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine is COCC1=CCN(CCC(CN)OC)CC1.
What is the InChIKey of 2-methoxy-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine?
The InChIKey is NJXABWJXBINVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-15-10-11-3-6-14(7-4-11)8-5-12(9-13)16-2/h3,12H,4-10,13H2,1-2H3.
What are the key properties of 2-methoxy-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine?
2-methoxy-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine has a molecular weight of 228.34 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine is sourced from PubChem (CID 103152788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).