4-amino-4-(7-aminoheptyl)heptanedinitrile

C₁₄H₂₆N₄ — CID 54507344

About 4-amino-4-(7-aminoheptyl)heptanedinitrile

4-amino-4-(7-aminoheptyl)heptanedinitrile (PubChem CID 54507344) has the molecular formula C₁₄H₂₆N₄ and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-amino-4-(7-aminoheptyl)heptanedinitrile.

Molecular Properties

• Compound Name: 4-amino-4-(7-aminoheptyl)heptanedinitrile
• PubChem CID: 54507344
• Molecular Formula: C₁₄H₂₆N₄
• Molecular Weight: 250.39 g/mol
• Exact Mass: 250.22
• IUPAC Name: 4-amino-4-(7-aminoheptyl)heptanedinitrile
• SMILES: N#CCCC(N)(CCC#N)CCCCCCCN
• InChI: InChI=1S/C14H26N4/c15-11-5-3-1-2-4-8-14(18,9-6-12-16)10-7-13-17/h1-11,15,18H2
• InChIKey: YGQOBXWEPKAMGL-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 99.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	250.39
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(7-aminoheptyl)heptanedinitrile?

The IUPAC name of 4-amino-4-(7-aminoheptyl)heptanedinitrile (CID 54507344) is 4-amino-4-(7-aminoheptyl)heptanedinitrile.

What is the SMILES notation for 4-amino-4-(7-aminoheptyl)heptanedinitrile?

The canonical SMILES for 4-amino-4-(7-aminoheptyl)heptanedinitrile is N#CCCC(N)(CCC#N)CCCCCCCN.

What is the InChIKey of 4-amino-4-(7-aminoheptyl)heptanedinitrile?

The InChIKey is YGQOBXWEPKAMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c15-11-5-3-1-2-4-8-14(18,9-6-12-16)10-7-13-17/h1-11,15,18H2.

What are the key properties of 4-amino-4-(7-aminoheptyl)heptanedinitrile?

4-amino-4-(7-aminoheptyl)heptanedinitrile has a molecular weight of 250.39 g/mol, XLogP of 2.59, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-4-(7-aminoheptyl)heptanedinitrile is sourced from PubChem (CID 54507344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 54507344 — identifiers, structure, computed properties (public domain)

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