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

C16H26N4O — CID 114412848

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

N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 114412848) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

• Compound Name: N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]-2-methylpropan-1-amine
• PubChem CID: 114412848
• Molecular Formula: C16H26N4O
• Molecular Weight: 290.41 g/mol
• Exact Mass: 290.21
• IUPAC Name: N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]-2-methylpropan-1-amine
• SMILES: COCC1=CCN(c2ccc(CNCC(C)C)nn2)CC1
• InChI: InChI=1S/C16H26N4O/c1-13(2)10-17-11-15-4-5-16(19-18-15)20-8-6-14(7-9-20)12-21-3/h4-6,13,17H,7-12H2,1-3H3
• InChIKey: BPQGSCVXFBQDSN-UHFFFAOYSA-N
• XLogP: 2.01
• TPSA: 50.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.41
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]-2-methylpropan-1-amine (CID 114412848) is N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]-2-methylpropan-1-amine.

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

The canonical SMILES for N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]-2-methylpropan-1-amine is COCC1=CCN(c2ccc(CNCC(C)C)nn2)CC1.

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

The InChIKey is BPQGSCVXFBQDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13(2)10-17-11-15-4-5-16(19-18-15)20-8-6-14(7-9-20)12-21-3/h4-6,13,17H,7-12H2,1-3H3.

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

N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 290.41 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114412848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).