6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide

C₁₅H₂₉N₃O₂ — CID 79401305

About 6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide

6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide (PubChem CID 79401305) has the molecular formula C₁₅H₂₉N₃O₂ and a molecular weight of 283.42 g/mol. Its IUPAC name is 6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide.

Molecular Properties

• Compound Name: 6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide
• PubChem CID: 79401305
• Molecular Formula: C₁₅H₂₉N₃O₂
• Molecular Weight: 283.42 g/mol
• Exact Mass: 283.23
• IUPAC Name: 6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide
• SMILES: CC(C)(CCN)CCC(=O)NCCCC(=O)NC1CC1
• InChI: InChI=1S/C15H29N3O2/c1-15(2,9-10-16)8-7-13(19)17-11-3-4-14(20)18-12-5-6-12/h12H,3-11,16H2,1-2H3,(H,17,19)(H,18,20)
• InChIKey: UBKRNBXEINCZMD-UHFFFAOYSA-N
• XLogP: 1.32
• TPSA: 84.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	283.42
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide?

The IUPAC name of 6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide (CID 79401305) is 6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide.

What is the SMILES notation for 6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide?

The canonical SMILES for 6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide is CC(C)(CCN)CCC(=O)NCCCC(=O)NC1CC1.

What is the InChIKey of 6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide?

The InChIKey is UBKRNBXEINCZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-15(2,9-10-16)8-7-13(19)17-11-3-4-14(20)18-12-5-6-12/h12H,3-11,16H2,1-2H3,(H,17,19)(H,18,20).

What are the key properties of 6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide?

6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide has a molecular weight of 283.42 g/mol, XLogP of 1.32, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide is sourced from PubChem (CID 79401305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 79401305 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.