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

C11H22N2O2 — CID 103227342

IUPAC3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
SMILESCOCC1=CCN(C(CN)COC)CC1
InChIInChI=1S/C11H22N2O2/c1-14-8-10-3-5-13(6-4-10)11(7-12)9-15-2/h3,11H,4-9,12H2,1-2H3
InChIKeySISMFZICQRUOIK-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.24
Rot. Bonds6

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

3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine (PubChem CID 103227342) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
PubChem CID103227342
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
SMILESCOCC1=CCN(C(CN)COC)CC1
InChIInChI=1S/C11H22N2O2/c1-14-8-10-3-5-13(6-4-10)11(7-12)9-15-2/h3,11H,4-9,12H2,1-2H3
InChIKeySISMFZICQRUOIK-UHFFFAOYSA-N
XLogP0.24
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.24
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]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
The IUPAC name of 3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine (CID 103227342) is 3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine.
What is the SMILES notation for 3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
The canonical SMILES for 3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine is COCC1=CCN(C(CN)COC)CC1.
What is the InChIKey of 3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
The InChIKey is SISMFZICQRUOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-14-8-10-3-5-13(6-4-10)11(7-12)9-15-2/h3,11H,4-9,12H2,1-2H3.
What are the key properties of 3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine has a molecular weight of 214.31 g/mol, XLogP of 0.24, 6 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]propan-1-amine is sourced from PubChem (CID 103227342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).