N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)octane-1,8-diamine;butane-1,4-diamine;ethanamine;ethane-1,2-diamine;hexane-1,6-diamine;octane-1,8-diamine;bis(pentane-1,5-diamine);propane-1,3-diamine

C72H196N28 — CID 165066014

About N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)octane-1,8-diamine;butane-1,4-diamine;ethanamine;ethane-1,2-diamine;hexane-1,6-diamine;octane-1,8-diamine;bis(pentane-1,5-diamine);propane-1,3-diamine

N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)octane-1,8-diamine;butane-1,4-diamine;ethanamine;ethane-1,2-diamine;hexane-1,6-diamine;octane-1,8-diamine;bis(pentane-1,5-diamine);propane-1,3-diamine (PubChem CID 165066014) has the molecular formula C72H196N28 and a molecular weight of 1454.56 g/mol. Its IUPAC name is N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)octane-1,8-diamine;butane-1,4-diamine;ethanamine;ethane-1,2-diamine;hexane-1,6-diamine;octane-1,8-diamine;bis(pentane-1,5-diamine);propane-1,3-diamine.

Molecular Properties

• Compound Name: N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)octane-1,8-diamine;butane-1,4-diamine;ethanamine;ethane-1,2-diamine;hexane-1,6-diamine;octane-1,8-diamine;bis(pentane-1,5-diamine);propane-1,3-diamine
• PubChem CID: 165066014
• Molecular Formula: C72H196N28
• Molecular Weight: 1454.56 g/mol
• Exact Mass: 1453.62
• IUPAC Name: N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)octane-1,8-diamine;butane-1,4-diamine;ethanamine;ethane-1,2-diamine;hexane-1,6-diamine;octane-1,8-diamine;bis(pentane-1,5-diamine);propane-1,3-diamine
• SMILES: CCN.NCCCCCCCCN.NCCCCCCCCNCCCN.NCCCCCCN.NCCCCCN.NCCCCCN.NCCCCCNCCCCCNCCN.NCCCCCNCCN.NCCCCN.NCCCCNCCCN.NCCCN.NCCN
• InChI: InChI=1S/C12H30N4.C11H27N3.C8H20N2.2C7H19N3.C6H16N2.2C5H14N2.C4H12N2.C3H10N2.C2H8N2.C2H7N/c13-7-3-1-4-9-15-10-5-2-6-11-16-12-8-14;12-8-5-3-1-2-4-6-10-14-11-7-9-13;9-7-5-3-1-2-4-6-8-10;8-4-1-2-6-10-7-3-5-9;8-4-2-1-3-6-10-7-5-9;7-5-3-1-2-4-6-8;2*6-4-2-1-3-5-7;5-3-1-2-4-6;4-2-1-3-5;3-1-2-4;1-2-3/h15-16H,1-14H2;14H,1-13H2;1-10H2;2*10H,1-9H2;1-8H2;2*1-7H2;1-6H2;1-5H2;1-4H2;2-3H2,1H3
• InChIKey: RYYXXIJUTICRNF-UHFFFAOYSA-N
• XLogP: 0.68
• TPSA: 658.61 Ų
• H-Bond Donors: 28
• H-Bond Acceptors: 28
• Rotatable Bonds: 64
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1454.56
LogP ≤ 5	0.68
H-Bond Donors ≤ 5	28
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)octane-1,8-diamine;butane-1,4-diamine;ethanamine;ethane-1,2-diamine;hexane-1,6-diamine;octane-1,8-diamine;bis(pentane-1,5-diamine);propane-1,3-diamine?

The IUPAC name of N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)octane-1,8-diamine;butane-1,4-diamine;ethanamine;ethane-1,2-diamine;hexane-1,6-diamine;octane-1,8-diamine;bis(pentane-1,5-diamine);propane-1,3-diamine (CID 165066014) is N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)octane-1,8-diamine;butane-1,4-diamine;ethanamine;ethane-1,2-diamine;hexane-1,6-diamine;octane-1,8-diamine;bis(pentane-1,5-diamine);propane-1,3-diamine.

What is the SMILES notation for N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)octane-1,8-diamine;butane-1,4-diamine;ethanamine;ethane-1,2-diamine;hexane-1,6-diamine;octane-1,8-diamine;bis(pentane-1,5-diamine);propane-1,3-diamine?

The canonical SMILES for N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)octane-1,8-diamine;butane-1,4-diamine;ethanamine;ethane-1,2-diamine;hexane-1,6-diamine;octane-1,8-diamine;bis(pentane-1,5-diamine);propane-1,3-diamine is CCN.NCCCCCCCCN.NCCCCCCCCNCCCN.NCCCCCCN.NCCCCCN.NCCCCCN.NCCCCCNCCCCCNCCN.NCCCCCNCCN.NCCCCN.NCCCCNCCCN.NCCCN.NCCN.

What is the InChIKey of N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)octane-1,8-diamine;butane-1,4-diamine;ethanamine;ethane-1,2-diamine;hexane-1,6-diamine;octane-1,8-diamine;bis(pentane-1,5-diamine);propane-1,3-diamine?

The InChIKey is RYYXXIJUTICRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N4.C11H27N3.C8H20N2.2C7H19N3.C6H16N2.2C5H14N2.C4H12N2.C3H10N2.C2H8N2.C2H7N/c13-7-3-1-4-9-15-10-5-2-6-11-16-12-8-14;12-8-5-3-1-2-4-6-10-14-11-7-9-13;9-7-5-3-1-2-4-6-8-10;8-4-1-2-6-10-7-3-5-9;8-4-2-1-3-6-10-7-5-9;7-5-3-1-2-4-6-8;2*6-4-2-1-3-5-7;5-3-1-2-4-6;4-2-1-3-5;3-1-2-4;1-2-3/h15-16H,1-14H2;14H,1-13H2;1-10H2;2*10H,1-9H2;1-8H2;2*1-7H2;1-6H2;1-5H2;1-4H2;2-3H2,1H3.

What are the key properties of N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)octane-1,8-diamine;butane-1,4-diamine;ethanamine;ethane-1,2-diamine;hexane-1,6-diamine;octane-1,8-diamine;bis(pentane-1,5-diamine);propane-1,3-diamine?

N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)octane-1,8-diamine;butane-1,4-diamine;ethanamine;ethane-1,2-diamine;hexane-1,6-diamine;octane-1,8-diamine;bis(pentane-1,5-diamine);propane-1,3-diamine has a molecular weight of 1454.56 g/mol, XLogP of 0.68, 64 rotatable bonds, 28 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)octane-1,8-diamine;butane-1,4-diamine;ethanamine;ethane-1,2-diamine;hexane-1,6-diamine;octane-1,8-diamine;bis(pentane-1,5-diamine);propane-1,3-diamine is sourced from PubChem (CID 165066014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).