3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide

C11H20N2O2 — CID 62065091

IUPAC3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNCC1CCC=CO1
InChIInChI=1S/C11H20N2O2/c1-13(2)11(14)6-7-12-9-10-5-3-4-8-15-10/h4,8,10,12H,3,5-7,9H2,1-2H3
InChIKeyXWSGRPCVNDUVAB-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.75
Rot. Bonds5

About 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide

3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide (PubChem CID 62065091) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide
PubChem CID62065091
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNCC1CCC=CO1
InChIInChI=1S/C11H20N2O2/c1-13(2)11(14)6-7-12-9-10-5-3-4-8-15-10/h4,8,10,12H,3,5-7,9H2,1-2H3
InChIKeyXWSGRPCVNDUVAB-UHFFFAOYSA-N
XLogP0.75
TPSA41.57 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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide 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-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide?
The IUPAC name of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide (CID 62065091) is 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide is CN(C)C(=O)CCNCC1CCC=CO1.
What is the InChIKey of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide?
The InChIKey is XWSGRPCVNDUVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-13(2)11(14)6-7-12-9-10-5-3-4-8-15-10/h4,8,10,12H,3,5-7,9H2,1-2H3.
What are the key properties of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide?
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide has a molecular weight of 212.29 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide is sourced from PubChem (CID 62065091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).