azane;2-methyl-N-(2-methylpentanoyl)pentanamide;bis(2-methylpentanamide);bis(2-methylpentanoic acid);bis(molecular iodine)

C36H76I4N4O8 — CID 158421176

About azane;2-methyl-N-(2-methylpentanoyl)pentanamide;bis(2-methylpentanamide);bis(2-methylpentanoic acid);bis(molecular iodine)

azane;2-methyl-N-(2-methylpentanoyl)pentanamide;bis(2-methylpentanamide);bis(2-methylpentanoic acid);bis(molecular iodine) (PubChem CID 158421176) has the molecular formula C36H76I4N4O8 and a molecular weight of 1200.64 g/mol. Its IUPAC name is azane;2-methyl-N-(2-methylpentanoyl)pentanamide;bis(2-methylpentanamide);bis(2-methylpentanoic acid);bis(molecular iodine).

Molecular Properties

• Compound Name: azane;2-methyl-N-(2-methylpentanoyl)pentanamide;bis(2-methylpentanamide);bis(2-methylpentanoic acid);bis(molecular iodine)
• PubChem CID: 158421176
• Molecular Formula: C36H76I4N4O8
• Molecular Weight: 1200.64 g/mol
• Exact Mass: 1200.18
• IUPAC Name: azane;2-methyl-N-(2-methylpentanoyl)pentanamide;bis(2-methylpentanamide);bis(2-methylpentanoic acid);bis(molecular iodine)
• SMILES: CCCC(C)C(=O)NC(=O)C(C)CCC.CCCC(C)C(=O)O.CCCC(C)C(=O)O.CCCC(C)C(N)=O.CCCC(C)C(N)=O.II.II.N
• InChI: InChI=1S/C12H23NO2.2C6H13NO.2C6H12O2.2I2.H3N/c1-5-7-9(3)11(14)13-12(15)10(4)8-6-2;4*1-3-4-5(2)6(7)8;2*1-2;/h9-10H,5-8H2,1-4H3,(H,13,14,15);2*5H,3-4H2,1-2H3,(H2,7,8);2*5H,3-4H2,1-2H3,(H,7,8);;;1H3
• InChIKey: PCYAHJBBAFKAEZ-UHFFFAOYSA-N
• XLogP: 11.04
• TPSA: 241.95 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 18
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1200.64
LogP ≤ 5	11.04
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of azane;2-methyl-N-(2-methylpentanoyl)pentanamide;bis(2-methylpentanamide);bis(2-methylpentanoic acid);bis(molecular iodine)?

The IUPAC name of azane;2-methyl-N-(2-methylpentanoyl)pentanamide;bis(2-methylpentanamide);bis(2-methylpentanoic acid);bis(molecular iodine) (CID 158421176) is azane;2-methyl-N-(2-methylpentanoyl)pentanamide;bis(2-methylpentanamide);bis(2-methylpentanoic acid);bis(molecular iodine).

What is the SMILES notation for azane;2-methyl-N-(2-methylpentanoyl)pentanamide;bis(2-methylpentanamide);bis(2-methylpentanoic acid);bis(molecular iodine)?

The canonical SMILES for azane;2-methyl-N-(2-methylpentanoyl)pentanamide;bis(2-methylpentanamide);bis(2-methylpentanoic acid);bis(molecular iodine) is CCCC(C)C(=O)NC(=O)C(C)CCC.CCCC(C)C(=O)O.CCCC(C)C(=O)O.CCCC(C)C(N)=O.CCCC(C)C(N)=O.II.II.N.

What is the InChIKey of azane;2-methyl-N-(2-methylpentanoyl)pentanamide;bis(2-methylpentanamide);bis(2-methylpentanoic acid);bis(molecular iodine)?

The InChIKey is PCYAHJBBAFKAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2.2C6H13NO.2C6H12O2.2I2.H3N/c1-5-7-9(3)11(14)13-12(15)10(4)8-6-2;4*1-3-4-5(2)6(7)8;2*1-2;/h9-10H,5-8H2,1-4H3,(H,13,14,15);2*5H,3-4H2,1-2H3,(H2,7,8);2*5H,3-4H2,1-2H3,(H,7,8);;;1H3.

What are the key properties of azane;2-methyl-N-(2-methylpentanoyl)pentanamide;bis(2-methylpentanamide);bis(2-methylpentanoic acid);bis(molecular iodine)?

azane;2-methyl-N-(2-methylpentanoyl)pentanamide;bis(2-methylpentanamide);bis(2-methylpentanoic acid);bis(molecular iodine) has a molecular weight of 1200.64 g/mol, XLogP of 11.04, 18 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for azane;2-methyl-N-(2-methylpentanoyl)pentanamide;bis(2-methylpentanamide);bis(2-methylpentanoic acid);bis(molecular iodine) is sourced from PubChem (CID 158421176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).