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

C13H26N2O2 — CID 103227339

IUPACN-ethyl-3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
SMILESCCNCC(COC)N1CC=C(COC)CC1
InChIInChI=1S/C13H26N2O2/c1-4-14-9-13(11-17-3)15-7-5-12(6-8-15)10-16-2/h5,13-14H,4,6-11H2,1-3H3
InChIKeyYJFIEXXUYJOPEO-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.89
Rot. Bonds8

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

N-ethyl-3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine (PubChem CID 103227339) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-ethyl-3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
PubChem CID103227339
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-ethyl-3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
SMILESCCNCC(COC)N1CC=C(COC)CC1
InChIInChI=1S/C13H26N2O2/c1-4-14-9-13(11-17-3)15-7-5-12(6-8-15)10-16-2/h5,13-14H,4,6-11H2,1-3H3
InChIKeyYJFIEXXUYJOPEO-UHFFFAOYSA-N
XLogP0.89
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-4-(methoxymethyl)-N-prop-2-enoxy-1,2,3,6-tetrahydropyridin-3-amine
CID 132264900
2-methoxy-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 103152788
N-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine
CID 103227328
N-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-2-methylpropan-1-amine
CID 103227329
3-methoxy-N-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
CID 103227330
N-ethyl-3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
CID 103227331
3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine
CID 103227332
3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propylpropan-1-amine
CID 103227333
3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
CID 103227334
N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]cyclopropanamine
CID 103227335
N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine
CID 103227336
3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpropan-1-amine
CID 103227337

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
The IUPAC name of N-ethyl-3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine (CID 103227339) is N-ethyl-3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
The canonical SMILES for N-ethyl-3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine is CCNCC(COC)N1CC=C(COC)CC1.
What is the InChIKey of N-ethyl-3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
The InChIKey is YJFIEXXUYJOPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-14-9-13(11-17-3)15-7-5-12(6-8-15)10-16-2/h5,13-14H,4,6-11H2,1-3H3.
What are the key properties of N-ethyl-3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
N-ethyl-3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine has a molecular weight of 242.36 g/mol, XLogP of 0.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine is sourced from PubChem (CID 103227339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).