N-[6-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexyl]dodecanamide

C37H76N8O4 — CID 174243658

About N-[6-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexyl]dodecanamide

N-[6-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexyl]dodecanamide (PubChem CID 174243658) has the molecular formula C37H76N8O4 and a molecular weight of 697.07 g/mol. Its IUPAC name is N-[6-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexyl]dodecanamide.

Molecular Properties

• Compound Name: N-[6-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexyl]dodecanamide
• PubChem CID: 174243658
• Molecular Formula: C37H76N8O4
• Molecular Weight: 697.07 g/mol
• Exact Mass: 696.60
• IUPAC Name: N-[6-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexyl]dodecanamide
• SMILES: CCCCCCCCCCCC(=O)NCCCCCCNC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC
• InChI: InChI=1S/C37H76N8O4/c1-3-4-5-6-7-8-9-10-13-25-34(46)42-29-20-11-12-21-30-43-35(47)32(23-15-18-27-39)44-37(49)33(24-16-19-28-40)45-36(48)31(41-2)22-14-17-26-38/h31-33,41H,3-30,38-40H2,1-2H3,(H,42,46)(H,43,47)(H,44,49)(H,45,48)
• InChIKey: MWEHSDVIXZNGMU-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 206.49 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 35
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	697.07
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[6-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexyl]dodecanamide (CID 174243658) is N-[6-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexyl]dodecanamide.

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

The canonical SMILES for N-[6-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexyl]dodecanamide is CCCCCCCCCCCC(=O)NCCCCCCNC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC.

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

The InChIKey is MWEHSDVIXZNGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H76N8O4/c1-3-4-5-6-7-8-9-10-13-25-34(46)42-29-20-11-12-21-30-43-35(47)32(23-15-18-27-39)44-37(49)33(24-16-19-28-40)45-36(48)31(41-2)22-14-17-26-38/h31-33,41H,3-30,38-40H2,1-2H3,(H,42,46)(H,43,47)(H,44,49)(H,45,48).

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

N-[6-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexyl]dodecanamide has a molecular weight of 697.07 g/mol, XLogP of 3.64, 35 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexyl]dodecanamide is sourced from PubChem (CID 174243658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).