N-[2-[2-[2-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethyl-[2-(methylamino)ethyl]amino]ethyl-chloroamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]propanamide

C23H55ClN10O — CID 146519254

About N-[2-[2-[2-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethyl-[2-(methylamino)ethyl]amino]ethyl-chloroamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]propanamide

N-[2-[2-[2-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethyl-[2-(methylamino)ethyl]amino]ethyl-chloroamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]propanamide (PubChem CID 146519254) has the molecular formula C23H55ClN10O and a molecular weight of 523.22 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethyl-[2-(methylamino)ethyl]amino]ethyl-chloroamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]propanamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethyl-[2-(methylamino)ethyl]amino]ethyl-chloroamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]propanamide
• PubChem CID: 146519254
• Molecular Formula: C23H55ClN10O
• Molecular Weight: 523.22 g/mol
• Exact Mass: 522.42
• IUPAC Name: N-[2-[2-[2-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethyl-[2-(methylamino)ethyl]amino]ethyl-chloroamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]propanamide
• SMILES: CCC(=O)NCCN(CCNC)CCN(Cl)CCN(CCNC)CCN(CCN)CCNCCN
• InChI: InChI=1S/C23H55ClN10O/c1-4-23(35)30-11-16-32(13-8-27-2)19-21-34(24)22-20-33(14-9-28-3)18-17-31(12-6-26)15-10-29-7-5-25/h27-29H,4-22,25-26H2,1-3H3,(H,30,35)
• InChIKey: QEMJXFUVRZYVCS-UHFFFAOYSA-N
• XLogP: -2.18
• TPSA: 130.19 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 26
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.22
LogP ≤ 5	-2.18
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethyl-[2-(methylamino)ethyl]amino]ethyl-chloroamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]propanamide?

The IUPAC name of N-[2-[2-[2-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethyl-[2-(methylamino)ethyl]amino]ethyl-chloroamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]propanamide (CID 146519254) is N-[2-[2-[2-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethyl-[2-(methylamino)ethyl]amino]ethyl-chloroamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]propanamide.

What is the SMILES notation for N-[2-[2-[2-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethyl-[2-(methylamino)ethyl]amino]ethyl-chloroamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]propanamide?

The canonical SMILES for N-[2-[2-[2-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethyl-[2-(methylamino)ethyl]amino]ethyl-chloroamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]propanamide is CCC(=O)NCCN(CCNC)CCN(Cl)CCN(CCNC)CCN(CCN)CCNCCN.

What is the InChIKey of N-[2-[2-[2-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethyl-[2-(methylamino)ethyl]amino]ethyl-chloroamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]propanamide?

The InChIKey is QEMJXFUVRZYVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H55ClN10O/c1-4-23(35)30-11-16-32(13-8-27-2)19-21-34(24)22-20-33(14-9-28-3)18-17-31(12-6-26)15-10-29-7-5-25/h27-29H,4-22,25-26H2,1-3H3,(H,30,35).

What are the key properties of N-[2-[2-[2-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethyl-[2-(methylamino)ethyl]amino]ethyl-chloroamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]propanamide?

N-[2-[2-[2-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethyl-[2-(methylamino)ethyl]amino]ethyl-chloroamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]propanamide has a molecular weight of 523.22 g/mol, XLogP of -2.18, 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-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethyl-[2-(methylamino)ethyl]amino]ethyl-chloroamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]propanamide is sourced from PubChem (CID 146519254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).