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

C10H18N2O2 — CID 62064941

IUPAC3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide
SMILESCNC(=O)CCNCC1CCC=CO1
InChIInChI=1S/C10H18N2O2/c1-11-10(13)5-6-12-8-9-4-2-3-7-14-9/h3,7,9,12H,2,4-6,8H2,1H3,(H,11,13)
InChIKeyBQIBAEGNJDDWCG-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.40
Rot. Bonds5

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

3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide (PubChem CID 62064941) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide
PubChem CID62064941
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide
SMILESCNC(=O)CCNCC1CCC=CO1
InChIInChI=1S/C10H18N2O2/c1-11-10(13)5-6-12-8-9-4-2-3-7-14-9/h3,7,9,12H,2,4-6,8H2,1H3,(H,11,13)
InChIKeyBQIBAEGNJDDWCG-UHFFFAOYSA-N
XLogP0.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide?
The IUPAC name of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide (CID 62064941) is 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide?
The canonical SMILES for 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide is CNC(=O)CCNCC1CCC=CO1.
What is the InChIKey of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide?
The InChIKey is BQIBAEGNJDDWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-11-10(13)5-6-12-8-9-4-2-3-7-14-9/h3,7,9,12H,2,4-6,8H2,1H3,(H,11,13).
What are the key properties of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide?
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide has a molecular weight of 198.27 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 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-methylpropanamide is sourced from PubChem (CID 62064941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).