2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-1-one

C11H20N2O2 — CID 114409108

IUPAC2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-1-one
SMILESCOCCCC(N)C(=O)N1CC=CCC1
InChIInChI=1S/C11H20N2O2/c1-15-9-5-6-10(12)11(14)13-7-3-2-4-8-13/h2-3,10H,4-9,12H2,1H3
InChIKeyPZEMJCSRQBYXLZ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.53
Rot. Bonds5

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

2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-1-one (PubChem CID 114409108) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-1-one.

Molecular Properties

Compound Name2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-1-one
PubChem CID114409108
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-1-one
SMILESCOCCCC(N)C(=O)N1CC=CCC1
InChIInChI=1S/C11H20N2O2/c1-15-9-5-6-10(12)11(14)13-7-3-2-4-8-13/h2-3,10H,4-9,12H2,1H3
InChIKeyPZEMJCSRQBYXLZ-UHFFFAOYSA-N
XLogP0.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-1-one?
The IUPAC name of 2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-1-one (CID 114409108) is 2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-1-one.
What is the SMILES notation for 2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-1-one?
The canonical SMILES for 2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-1-one is COCCCC(N)C(=O)N1CC=CCC1.
What is the InChIKey of 2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-1-one?
The InChIKey is PZEMJCSRQBYXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-15-9-5-6-10(12)11(14)13-7-3-2-4-8-13/h2-3,10H,4-9,12H2,1H3.
What are the key properties of 2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-1-one?
2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-1-one has a molecular weight of 212.29 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-1-one is sourced from PubChem (CID 114409108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).