N'-[2-[2-[2-aminoethyl(butyl)amino]ethyl-[2-[2-[bis(2-aminoethyl)amino]ethyl-[2-(methylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine

C23H58N10 — CID 159788489

About N'-[2-[2-[2-aminoethyl(butyl)amino]ethyl-[2-[2-[bis(2-aminoethyl)amino]ethyl-[2-(methylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine

N'-[2-[2-[2-aminoethyl(butyl)amino]ethyl-[2-[2-[bis(2-aminoethyl)amino]ethyl-[2-(methylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine (PubChem CID 159788489) has the molecular formula C23H58N10 and a molecular weight of 474.79 g/mol. Its IUPAC name is N'-[2-[2-[2-aminoethyl(butyl)amino]ethyl-[2-[2-[bis(2-aminoethyl)amino]ethyl-[2-(methylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine.

Molecular Properties

• Compound Name: N'-[2-[2-[2-aminoethyl(butyl)amino]ethyl-[2-[2-[bis(2-aminoethyl)amino]ethyl-[2-(methylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine
• PubChem CID: 159788489
• Molecular Formula: C23H58N10
• Molecular Weight: 474.79 g/mol
• Exact Mass: 474.48
• IUPAC Name: N'-[2-[2-[2-aminoethyl(butyl)amino]ethyl-[2-[2-[bis(2-aminoethyl)amino]ethyl-[2-(methylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine
• SMILES: CCCCN(CCN)CCN(CCNCCN)CCN(CCNC)CCN(CCN)CCN
• InChI: InChI=1S/C23H58N10/c1-3-4-12-30(13-6-25)18-20-33(17-11-29-9-5-24)23-22-32(16-10-28-2)21-19-31(14-7-26)15-8-27/h28-29H,3-27H2,1-2H3
• InChIKey: AGOIMXVTMRCPJA-UHFFFAOYSA-N
• XLogP: -2.36
• TPSA: 141.10 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 26
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.79
LogP ≤ 5	-2.36
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-[2-aminoethyl(butyl)amino]ethyl-[2-[2-[bis(2-aminoethyl)amino]ethyl-[2-(methylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine?

The IUPAC name of N'-[2-[2-[2-aminoethyl(butyl)amino]ethyl-[2-[2-[bis(2-aminoethyl)amino]ethyl-[2-(methylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine (CID 159788489) is N'-[2-[2-[2-aminoethyl(butyl)amino]ethyl-[2-[2-[bis(2-aminoethyl)amino]ethyl-[2-(methylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine.

What is the SMILES notation for N'-[2-[2-[2-aminoethyl(butyl)amino]ethyl-[2-[2-[bis(2-aminoethyl)amino]ethyl-[2-(methylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine?

The canonical SMILES for N'-[2-[2-[2-aminoethyl(butyl)amino]ethyl-[2-[2-[bis(2-aminoethyl)amino]ethyl-[2-(methylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine is CCCCN(CCN)CCN(CCNCCN)CCN(CCNC)CCN(CCN)CCN.

What is the InChIKey of N'-[2-[2-[2-aminoethyl(butyl)amino]ethyl-[2-[2-[bis(2-aminoethyl)amino]ethyl-[2-(methylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine?

The InChIKey is AGOIMXVTMRCPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H58N10/c1-3-4-12-30(13-6-25)18-20-33(17-11-29-9-5-24)23-22-32(16-10-28-2)21-19-31(14-7-26)15-8-27/h28-29H,3-27H2,1-2H3.

What are the key properties of N'-[2-[2-[2-aminoethyl(butyl)amino]ethyl-[2-[2-[bis(2-aminoethyl)amino]ethyl-[2-(methylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine?

N'-[2-[2-[2-aminoethyl(butyl)amino]ethyl-[2-[2-[bis(2-aminoethyl)amino]ethyl-[2-(methylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine has a molecular weight of 474.79 g/mol, XLogP of -2.36, 26 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-[2-[2-aminoethyl(butyl)amino]ethyl-[2-[2-[bis(2-aminoethyl)amino]ethyl-[2-(methylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 159788489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).