3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one

C11H20N2O2 — CID 114409876

IUPAC3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
SMILESCOCC1=CCN(C(=O)C(C)CN)CC1
InChIInChI=1S/C11H20N2O2/c1-9(7-12)11(14)13-5-3-10(4-6-13)8-15-2/h3,9H,4-8,12H2,1-2H3
InChIKeyUSTGOFFDWLXVSP-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.39
Rot. Bonds4

About 3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one

3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one (PubChem CID 114409876) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
PubChem CID114409876
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
SMILESCOCC1=CCN(C(=O)C(C)CN)CC1
InChIInChI=1S/C11H20N2O2/c1-9(7-12)11(14)13-5-3-10(4-6-13)8-15-2/h3,9H,4-8,12H2,1-2H3
InChIKeyUSTGOFFDWLXVSP-UHFFFAOYSA-N
XLogP0.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one (CID 114409876) is 3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one is COCC1=CCN(C(=O)C(C)CN)CC1.
What is the InChIKey of 3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one?
The InChIKey is USTGOFFDWLXVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9(7-12)11(14)13-5-3-10(4-6-13)8-15-2/h3,9H,4-8,12H2,1-2H3.
What are the key properties of 3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one?
3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one has a molecular weight of 212.29 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 114409876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).