2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropanamide

C10H18N2O2 — CID 130820280

IUPAC2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropanamide
SMILESCC(C)(N)C(=O)NCC1=CCCOC1
InChIInChI=1S/C10H18N2O2/c1-10(2,11)9(13)12-6-8-4-3-5-14-7-8/h4H,3,5-7,11H2,1-2H3,(H,12,13)
InChIKeyXVYJUKCECBLXPH-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.19
Rot. Bonds3

About 2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropanamide

2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropanamide (PubChem CID 130820280) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropanamide
PubChem CID130820280
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropanamide
SMILESCC(C)(N)C(=O)NCC1=CCCOC1
InChIInChI=1S/C10H18N2O2/c1-10(2,11)9(13)12-6-8-4-3-5-14-7-8/h4H,3,5-7,11H2,1-2H3,(H,12,13)
InChIKeyXVYJUKCECBLXPH-UHFFFAOYSA-N
XLogP0.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3,6-dihydro-2H-pyran-5-ylmethyl(2-methylpropyl)amino]acetamide
CID 132303611
2-amino-N-[(2S)-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienoxy]propan-2-yl]-2-methylpropanamide
CID 130374317
(2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 104921258
(2S)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 104921267
2-(tert-butylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 113581455
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-2-piperazin-1-ylpropan-1-one
CID 114409663
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-2-(methylamino)propan-1-one
CID 114409714
2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114409760
2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
CID 114409798
2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
CID 114409811
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(methylamino)propan-1-one
CID 114409892
2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propan-2-ylacetamide
CID 115674363

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropanamide?
The IUPAC name of 2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropanamide (CID 130820280) is 2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropanamide is CC(C)(N)C(=O)NCC1=CCCOC1.
What is the InChIKey of 2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropanamide?
The InChIKey is XVYJUKCECBLXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-10(2,11)9(13)12-6-8-4-3-5-14-7-8/h4H,3,5-7,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropanamide?
2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropanamide has a molecular weight of 198.27 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropanamide is sourced from PubChem (CID 130820280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).