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

C12H26N8O2 — CID 20610969

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

(2R)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide (PubChem CID 20610969) has the molecular formula C12H26N8O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2R)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide.

Molecular Properties

• Compound Name: (2R)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide
• PubChem CID: 20610969
• Molecular Formula: C12H26N8O2
• Molecular Weight: 314.39 g/mol
• Exact Mass: 314.22
• IUPAC Name: (2R)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide
• SMILES: NC(N)=NCCC[C@@H](C=O)NC(=O)[C@H](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)/t8-,9+/m0/s1
• InChIKey: HBNRWDHLTJVWAD-DTWKUNHWSA-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 (2R)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide?

The IUPAC name of (2R)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide (CID 20610969) is (2R)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide.

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

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

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

The InChIKey is HBNRWDHLTJVWAD-DTWKUNHWSA-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)/t8-,9+/m0/s1.

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

(2R)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-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 (2R)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide is sourced from PubChem (CID 20610969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).