N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine

C17H32N2O2 — CID 114413473

About N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 114413473) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

• Compound Name: N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
• PubChem CID: 114413473
• Molecular Formula: C17H32N2O2
• Molecular Weight: 296.45 g/mol
• Exact Mass: 296.25
• IUPAC Name: N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
• SMILES: COCC1=CCN(CC2CCC(CNCC(C)C)O2)CC1
• InChI: InChI=1S/C17H32N2O2/c1-14(2)10-18-11-16-4-5-17(21-16)12-19-8-6-15(7-9-19)13-20-3/h6,14,16-18H,4-5,7-13H2,1-3H3
• InChIKey: LSBJOXCZKSPIQK-UHFFFAOYSA-N
• XLogP: 2.06
• TPSA: 33.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	296.45
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine?

The IUPAC name of N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine (CID 114413473) is N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine.

What is the SMILES notation for N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine?

The canonical SMILES for N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine is COCC1=CCN(CC2CCC(CNCC(C)C)O2)CC1.

What is the InChIKey of N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine?

The InChIKey is LSBJOXCZKSPIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-14(2)10-18-11-16-4-5-17(21-16)12-19-8-6-15(7-9-19)13-20-3/h6,14,16-18H,4-5,7-13H2,1-3H3.

What are the key properties of N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine?

N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 296.45 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114413473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).