2-amino-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide

C12H26N8O2 — CID 18755169

About 2-amino-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide

2-amino-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide (PubChem CID 18755169) has the molecular formula C12H26N8O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-amino-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide.

Molecular Properties

• Compound Name: 2-amino-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide
• PubChem CID: 18755169
• Molecular Formula: C12H26N8O2
• Molecular Weight: 314.39 g/mol
• Exact Mass: 314.22
• IUPAC Name: 2-amino-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide
• SMILES: NC(N)=NCCCC(C=O)NC(=O)C(N)CCCN=C(N)N
• InChI: InChI=1S/C12H26N8O2/c13-9(4-2-6-19-12(16)17)10(22)20-8(7-21)3-1-5-18-11(14)15/h7-9H,1-6,13H2,(H,20,22)(H4,14,15,18)(H4,16,17,19)
• InChIKey: HBNRWDHLTJVWAD-UHFFFAOYSA-N
• XLogP: -2.90
• TPSA: 200.99 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	314.39
LogP ≤ 5	-2.90
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide?

The IUPAC name of 2-amino-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide (CID 18755169) is 2-amino-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide.

What is the SMILES notation for 2-amino-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide?

The canonical SMILES for 2-amino-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide is NC(N)=NCCCC(C=O)NC(=O)C(N)CCCN=C(N)N.

What is the InChIKey of 2-amino-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide?

The InChIKey is HBNRWDHLTJVWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N8O2/c13-9(4-2-6-19-12(16)17)10(22)20-8(7-21)3-1-5-18-11(14)15/h7-9H,1-6,13H2,(H,20,22)(H4,14,15,18)(H4,16,17,19).

What are the key properties of 2-amino-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide?

2-amino-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide has a molecular weight of 314.39 g/mol, XLogP of -2.90, 11 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide is sourced from PubChem (CID 18755169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).