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

C14H28N2O2 — CID 103227340

IUPAC3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpropan-1-amine
SMILESCOCC1=CCN(C(CNC(C)C)COC)CC1
InChIInChI=1S/C14H28N2O2/c1-12(2)15-9-14(11-18-4)16-7-5-13(6-8-16)10-17-3/h5,12,14-15H,6-11H2,1-4H3
InChIKeyVLYYXZXGMXWVDP-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.28
Rot. Bonds8

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

3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpropan-1-amine (PubChem CID 103227340) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpropan-1-amine
PubChem CID103227340
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpropan-1-amine
SMILESCOCC1=CCN(C(CNC(C)C)COC)CC1
InChIInChI=1S/C14H28N2O2/c1-12(2)15-9-14(11-18-4)16-7-5-13(6-8-16)10-17-3/h5,12,14-15H,6-11H2,1-4H3
InChIKeyVLYYXZXGMXWVDP-UHFFFAOYSA-N
XLogP1.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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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 3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpropan-1-amine (CID 103227340) is 3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpropan-1-amine is COCC1=CCN(C(CNC(C)C)COC)CC1.
What is the InChIKey of 3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpropan-1-amine?
The InChIKey is VLYYXZXGMXWVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(2)15-9-14(11-18-4)16-7-5-13(6-8-16)10-17-3/h5,12,14-15H,6-11H2,1-4H3.
What are the key properties of 3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpropan-1-amine?
3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpropan-1-amine has a molecular weight of 256.39 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 103227340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).