2-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one

C10H18N2O2 — CID 106313745

IUPAC2-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESCOCC(N)C(=O)N1CCC=C(C)C1
InChIInChI=1S/C10H18N2O2/c1-8-4-3-5-12(6-8)10(13)9(11)7-14-2/h4,9H,3,5-7,11H2,1-2H3
InChIKeyJFJAAMPIOZBMJI-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.14
Rot. Bonds3

About 2-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one

2-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (PubChem CID 106313745) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
PubChem CID106313745
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESCOCC(N)C(=O)N1CCC=C(C)C1
InChIInChI=1S/C10H18N2O2/c1-8-4-3-5-12(6-8)10(13)9(11)7-14-2/h4,9H,3,5-7,11H2,1-2H3
InChIKeyJFJAAMPIOZBMJI-UHFFFAOYSA-N
XLogP0.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.14
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 2-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The IUPAC name of 2-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (CID 106313745) is 2-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one is COCC(N)C(=O)N1CCC=C(C)C1.
What is the InChIKey of 2-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The InChIKey is JFJAAMPIOZBMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8-4-3-5-12(6-8)10(13)9(11)7-14-2/h4,9H,3,5-7,11H2,1-2H3.
What are the key properties of 2-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
2-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one has a molecular weight of 198.27 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one is sourced from PubChem (CID 106313745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).