2-amino-6-(diaminomethylideneamino)-N-(1-phenylpropan-2-yl)hexanamide;oxalic acid

C18H29N5O5 — CID 25156206

About 2-amino-6-(diaminomethylideneamino)-N-(1-phenylpropan-2-yl)hexanamide;oxalic acid

2-amino-6-(diaminomethylideneamino)-N-(1-phenylpropan-2-yl)hexanamide;oxalic acid (PubChem CID 25156206) has the molecular formula C18H29N5O5 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-amino-6-(diaminomethylideneamino)-N-(1-phenylpropan-2-yl)hexanamide;oxalic acid.

Molecular Properties

• Compound Name: 2-amino-6-(diaminomethylideneamino)-N-(1-phenylpropan-2-yl)hexanamide;oxalic acid
• PubChem CID: 25156206
• Molecular Formula: C18H29N5O5
• Molecular Weight: 395.46 g/mol
• Exact Mass: 395.22
• IUPAC Name: 2-amino-6-(diaminomethylideneamino)-N-(1-phenylpropan-2-yl)hexanamide;oxalic acid
• SMILES: CC(Cc1ccccc1)NC(=O)C(N)CCCCN=C(N)N.O=C(O)C(=O)O
• InChI: InChI=1S/C16H27N5O.C2H2O4/c1-12(11-13-7-3-2-4-8-13)21-15(22)14(17)9-5-6-10-20-16(18)19;3-1(4)2(5)6/h2-4,7-8,12,14H,5-6,9-11,17H2,1H3,(H,21,22)(H4,18,19,20);(H,3,4)(H,5,6)
• InChIKey: XAVTXEKCQUNZPE-UHFFFAOYSA-N
• XLogP: -0.34
• TPSA: 194.12 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	395.46
LogP ≤ 5	-0.34
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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-6-(diaminomethylideneamino)-N-(1-phenylpropan-2-yl)hexanamide;oxalic acid?

The IUPAC name of 2-amino-6-(diaminomethylideneamino)-N-(1-phenylpropan-2-yl)hexanamide;oxalic acid (CID 25156206) is 2-amino-6-(diaminomethylideneamino)-N-(1-phenylpropan-2-yl)hexanamide;oxalic acid.

What is the SMILES notation for 2-amino-6-(diaminomethylideneamino)-N-(1-phenylpropan-2-yl)hexanamide;oxalic acid?

The canonical SMILES for 2-amino-6-(diaminomethylideneamino)-N-(1-phenylpropan-2-yl)hexanamide;oxalic acid is CC(Cc1ccccc1)NC(=O)C(N)CCCCN=C(N)N.O=C(O)C(=O)O.

What is the InChIKey of 2-amino-6-(diaminomethylideneamino)-N-(1-phenylpropan-2-yl)hexanamide;oxalic acid?

The InChIKey is XAVTXEKCQUNZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O.C2H2O4/c1-12(11-13-7-3-2-4-8-13)21-15(22)14(17)9-5-6-10-20-16(18)19;3-1(4)2(5)6/h2-4,7-8,12,14H,5-6,9-11,17H2,1H3,(H,21,22)(H4,18,19,20);(H,3,4)(H,5,6).

What are the key properties of 2-amino-6-(diaminomethylideneamino)-N-(1-phenylpropan-2-yl)hexanamide;oxalic acid?

2-amino-6-(diaminomethylideneamino)-N-(1-phenylpropan-2-yl)hexanamide;oxalic acid has a molecular weight of 395.46 g/mol, XLogP of -0.34, 9 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-(diaminomethylideneamino)-N-(1-phenylpropan-2-yl)hexanamide;oxalic acid is sourced from PubChem (CID 25156206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).