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

C11H20N2O2 — CID 62064201

IUPAC2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide
SMILESCC(NCC1CCC=CO1)C(=O)N(C)C
InChIInChI=1S/C11H20N2O2/c1-9(11(14)13(2)3)12-8-10-6-4-5-7-15-10/h5,7,9-10,12H,4,6,8H2,1-3H3
InChIKeyJHBZECJKOOEELH-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.75
Rot. Bonds4

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

2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide (PubChem CID 62064201) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide
PubChem CID62064201
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide
SMILESCC(NCC1CCC=CO1)C(=O)N(C)C
InChIInChI=1S/C11H20N2O2/c1-9(11(14)13(2)3)12-8-10-6-4-5-7-15-10/h5,7,9-10,12H,4,6,8H2,1-3H3
InChIKeyJHBZECJKOOEELH-UHFFFAOYSA-N
XLogP0.75
TPSA41.57 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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide (CID 62064201) is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide is CC(NCC1CCC=CO1)C(=O)N(C)C.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide?
The InChIKey is JHBZECJKOOEELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9(11(14)13(2)3)12-8-10-6-4-5-7-15-10/h5,7,9-10,12H,4,6,8H2,1-3H3.
What are the key properties of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide?
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide has a molecular weight of 212.29 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide is sourced from PubChem (CID 62064201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).