N-[3-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]hydroxylamine

C20H28N4O — CID 58997151

About N-[3-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]hydroxylamine

N-[3-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]hydroxylamine (PubChem CID 58997151) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[3-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]hydroxylamine.

Molecular Properties

• Compound Name: N-[3-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]hydroxylamine
• PubChem CID: 58997151
• Molecular Formula: C20H28N4O
• Molecular Weight: 340.47 g/mol
• Exact Mass: 340.23
• IUPAC Name: N-[3-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]hydroxylamine
• SMILES: Cc1cnc(CN(CCCNO)C2CCCc3cccnc32)c(C)c1
• InChI: InChI=1S/C20H28N4O/c1-15-12-16(2)18(22-13-15)14-24(11-5-10-23-25)19-8-3-6-17-7-4-9-21-20(17)19/h4,7,9,12-13,19,23,25H,3,5-6,8,10-11,14H2,1-2H3
• InChIKey: ARCISRSRSMFGMT-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 61.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.47
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]hydroxylamine?

The IUPAC name of N-[3-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]hydroxylamine (CID 58997151) is N-[3-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]hydroxylamine.

What is the SMILES notation for N-[3-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]hydroxylamine?

The canonical SMILES for N-[3-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]hydroxylamine is Cc1cnc(CN(CCCNO)C2CCCc3cccnc32)c(C)c1.

What is the InChIKey of N-[3-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]hydroxylamine?

The InChIKey is ARCISRSRSMFGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-15-12-16(2)18(22-13-15)14-24(11-5-10-23-25)19-8-3-6-17-7-4-9-21-20(17)19/h4,7,9,12-13,19,23,25H,3,5-6,8,10-11,14H2,1-2H3.

What are the key properties of N-[3-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]hydroxylamine?

N-[3-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]hydroxylamine has a molecular weight of 340.47 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]hydroxylamine is sourced from PubChem (CID 58997151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).