6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide

C25H53N9O4 — CID 89335377

About 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide

6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide (PubChem CID 89335377) has the molecular formula C25H53N9O4 and a molecular weight of 543.76 g/mol. Its IUPAC name is 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide.

Molecular Properties

• Compound Name: 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide
• PubChem CID: 89335377
• Molecular Formula: C25H53N9O4
• Molecular Weight: 543.76 g/mol
• Exact Mass: 543.42
• IUPAC Name: 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide
• SMILES: CNC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(N)=O
• InChI: InChI=1S/C25H53N9O4/c1-31-19(11-3-7-15-27)23(36)33-21(13-5-9-17-29)25(38)34-20(12-4-8-16-28)24(37)32-18(22(30)35)10-2-6-14-26/h18-21,31H,2-17,26-29H2,1H3,(H2,30,35)(H,32,37)(H,33,36)(H,34,38)
• InChIKey: LVJBLHKOWVSRHF-UHFFFAOYSA-N
• XLogP: -1.97
• TPSA: 246.50 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 9
• Rotatable Bonds: 24
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.76
LogP ≤ 5	-1.97
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide?

The IUPAC name of 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide (CID 89335377) is 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide.

What is the SMILES notation for 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide?

The canonical SMILES for 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide is CNC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(N)=O.

What is the InChIKey of 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide?

The InChIKey is LVJBLHKOWVSRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53N9O4/c1-31-19(11-3-7-15-27)23(36)33-21(13-5-9-17-29)25(38)34-20(12-4-8-16-28)24(37)32-18(22(30)35)10-2-6-14-26/h18-21,31H,2-17,26-29H2,1H3,(H2,30,35)(H,32,37)(H,33,36)(H,34,38).

What are the key properties of 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide?

6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide has a molecular weight of 543.76 g/mol, XLogP of -1.97, 24 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide is sourced from PubChem (CID 89335377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).