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

C10H18N2O2 — CID 62064760

IUPAC2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide
SMILESCNC(=O)C(C)NCC1CCC=CO1
InChIInChI=1S/C10H18N2O2/c1-8(10(13)11-2)12-7-9-5-3-4-6-14-9/h4,6,8-9,12H,3,5,7H2,1-2H3,(H,11,13)
InChIKeySEWKFWWJHRQVTG-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.40
Rot. Bonds4

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

2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide (PubChem CID 62064760) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide
PubChem CID62064760
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide
SMILESCNC(=O)C(C)NCC1CCC=CO1
InChIInChI=1S/C10H18N2O2/c1-8(10(13)11-2)12-7-9-5-3-4-6-14-9/h4,6,8-9,12H,3,5,7H2,1-2H3,(H,11,13)
InChIKeySEWKFWWJHRQVTG-UHFFFAOYSA-N
XLogP0.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.40
H-Bond Donors ≤ 52
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-methylpropanamide?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide (CID 62064760) is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide is CNC(=O)C(C)NCC1CCC=CO1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide?
The InChIKey is SEWKFWWJHRQVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8(10(13)11-2)12-7-9-5-3-4-6-14-9/h4,6,8-9,12H,3,5,7H2,1-2H3,(H,11,13).
What are the key properties of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide?
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide has a molecular weight of 198.27 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 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-methylpropanamide is sourced from PubChem (CID 62064760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).