N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide

C18H42N6O3 — CID 161046106

About N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide

N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide (PubChem CID 161046106) has the molecular formula C18H42N6O3 and a molecular weight of 390.57 g/mol. Its IUPAC name is N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide.

Molecular Properties

• Compound Name: N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide
• PubChem CID: 161046106
• Molecular Formula: C18H42N6O3
• Molecular Weight: 390.57 g/mol
• Exact Mass: 390.33
• IUPAC Name: N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide
• SMILES: CC(=O)NCCCCCN.CC(=O)NCCCCN.CC(=O)NCCCN
• InChI: InChI=1S/C7H16N2O.C6H14N2O.C5H12N2O/c1-7(10)9-6-4-2-3-5-8;1-6(9)8-5-3-2-4-7;1-5(8)7-4-2-3-6/h2-6,8H2,1H3,(H,9,10);2-5,7H2,1H3,(H,8,9);2-4,6H2,1H3,(H,7,8)
• InChIKey: UBNCWMGUANTBAQ-UHFFFAOYSA-N
• XLogP: -0.42
• TPSA: 165.36 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	390.57
LogP ≤ 5	-0.42
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide?

The IUPAC name of N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide (CID 161046106) is N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide.

What is the SMILES notation for N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide?

The canonical SMILES for N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide is CC(=O)NCCCCCN.CC(=O)NCCCCN.CC(=O)NCCCN.

What is the InChIKey of N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide?

The InChIKey is UBNCWMGUANTBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.C6H14N2O.C5H12N2O/c1-7(10)9-6-4-2-3-5-8;1-6(9)8-5-3-2-4-7;1-5(8)7-4-2-3-6/h2-6,8H2,1H3,(H,9,10);2-5,7H2,1H3,(H,8,9);2-4,6H2,1H3,(H,7,8).

What are the key properties of N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide?

N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide has a molecular weight of 390.57 g/mol, XLogP of -0.42, 12 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide is sourced from PubChem (CID 161046106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).