2-[bis(propan-2-ylamino)methylidene]-1-N-[N,N'-di(propan-2-yl)carbamimidoyl]-1-N,1-N',3-N,3-N'-tetra(propan-2-yl)propanediimidamide

C29H60N8 — CID 24809009

About 2-[bis(propan-2-ylamino)methylidene]-1-N-[N,N'-di(propan-2-yl)carbamimidoyl]-1-N,1-N',3-N,3-N'-tetra(propan-2-yl)propanediimidamide

2-[bis(propan-2-ylamino)methylidene]-1-N-[N,N'-di(propan-2-yl)carbamimidoyl]-1-N,1-N',3-N,3-N'-tetra(propan-2-yl)propanediimidamide (PubChem CID 24809009) has the molecular formula C29H60N8 and a molecular weight of 520.86 g/mol. Its IUPAC name is 2-[bis(propan-2-ylamino)methylidene]-1-N-[N,N'-di(propan-2-yl)carbamimidoyl]-1-N,1-N',3-N,3-N'-tetra(propan-2-yl)propanediimidamide.

Molecular Properties

• Compound Name: 2-[bis(propan-2-ylamino)methylidene]-1-N-[N,N'-di(propan-2-yl)carbamimidoyl]-1-N,1-N',3-N,3-N'-tetra(propan-2-yl)propanediimidamide
• PubChem CID: 24809009
• Molecular Formula: C29H60N8
• Molecular Weight: 520.86 g/mol
• Exact Mass: 520.49
• IUPAC Name: 2-[bis(propan-2-ylamino)methylidene]-1-N-[N,N'-di(propan-2-yl)carbamimidoyl]-1-N,1-N',3-N,3-N'-tetra(propan-2-yl)propanediimidamide
• SMILES: CC(C)/N=C(/C(=C(NC(C)C)NC(C)C)/C(=N\C(C)C)NC(C)C)N(/C(=N/C(C)C)NC(C)C)C(C)C
• InChI: InChI=1S/C29H60N8/c1-17(2)30-26(31-18(3)4)25(27(32-19(5)6)33-20(7)8)28(34-21(9)10)37(24(15)16)29(35-22(11)12)36-23(13)14/h17-24,30-31H,1-16H3,(H,32,33)(H,35,36)/b34-28-
• InChIKey: GKXIIEKZRIIHGT-BFYITVNDSA-N
• XLogP: 5.28
• TPSA: 88.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.86
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[bis(propan-2-ylamino)methylidene]-1-N-[N,N'-di(propan-2-yl)carbamimidoyl]-1-N,1-N',3-N,3-N'-tetra(propan-2-yl)propanediimidamide?

The IUPAC name of 2-[bis(propan-2-ylamino)methylidene]-1-N-[N,N'-di(propan-2-yl)carbamimidoyl]-1-N,1-N',3-N,3-N'-tetra(propan-2-yl)propanediimidamide (CID 24809009) is 2-[bis(propan-2-ylamino)methylidene]-1-N-[N,N'-di(propan-2-yl)carbamimidoyl]-1-N,1-N',3-N,3-N'-tetra(propan-2-yl)propanediimidamide.

What is the SMILES notation for 2-[bis(propan-2-ylamino)methylidene]-1-N-[N,N'-di(propan-2-yl)carbamimidoyl]-1-N,1-N',3-N,3-N'-tetra(propan-2-yl)propanediimidamide?

The canonical SMILES for 2-[bis(propan-2-ylamino)methylidene]-1-N-[N,N'-di(propan-2-yl)carbamimidoyl]-1-N,1-N',3-N,3-N'-tetra(propan-2-yl)propanediimidamide is CC(C)/N=C(/C(=C(NC(C)C)NC(C)C)/C(=N\C(C)C)NC(C)C)N(/C(=N/C(C)C)NC(C)C)C(C)C.

What is the InChIKey of 2-[bis(propan-2-ylamino)methylidene]-1-N-[N,N'-di(propan-2-yl)carbamimidoyl]-1-N,1-N',3-N,3-N'-tetra(propan-2-yl)propanediimidamide?

The InChIKey is GKXIIEKZRIIHGT-BFYITVNDSA-N. The full InChI is InChI=1S/C29H60N8/c1-17(2)30-26(31-18(3)4)25(27(32-19(5)6)33-20(7)8)28(34-21(9)10)37(24(15)16)29(35-22(11)12)36-23(13)14/h17-24,30-31H,1-16H3,(H,32,33)(H,35,36)/b34-28-.

What are the key properties of 2-[bis(propan-2-ylamino)methylidene]-1-N-[N,N'-di(propan-2-yl)carbamimidoyl]-1-N,1-N',3-N,3-N'-tetra(propan-2-yl)propanediimidamide?

2-[bis(propan-2-ylamino)methylidene]-1-N-[N,N'-di(propan-2-yl)carbamimidoyl]-1-N,1-N',3-N,3-N'-tetra(propan-2-yl)propanediimidamide has a molecular weight of 520.86 g/mol, XLogP of 5.28, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[bis(propan-2-ylamino)methylidene]-1-N-[N,N'-di(propan-2-yl)carbamimidoyl]-1-N,1-N',3-N,3-N'-tetra(propan-2-yl)propanediimidamide is sourced from PubChem (CID 24809009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).