N'-(2-aminoethyl)ethane-1,2-diamine;diphenyl(propyl)phosphane;(3S,4R)-3,4,5-trihydroxypentanal

C24H40N3O4P — CID 174817207

About N'-(2-aminoethyl)ethane-1,2-diamine;diphenyl(propyl)phosphane;(3S,4R)-3,4,5-trihydroxypentanal

N'-(2-aminoethyl)ethane-1,2-diamine;diphenyl(propyl)phosphane;(3S,4R)-3,4,5-trihydroxypentanal (PubChem CID 174817207) has the molecular formula C24H40N3O4P and a molecular weight of 465.58 g/mol. Its IUPAC name is N'-(2-aminoethyl)ethane-1,2-diamine;diphenyl(propyl)phosphane;(3S,4R)-3,4,5-trihydroxypentanal.

Molecular Properties

• Compound Name: N'-(2-aminoethyl)ethane-1,2-diamine;diphenyl(propyl)phosphane;(3S,4R)-3,4,5-trihydroxypentanal
• PubChem CID: 174817207
• Molecular Formula: C24H40N3O4P
• Molecular Weight: 465.58 g/mol
• Exact Mass: 465.28
• IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine;diphenyl(propyl)phosphane;(3S,4R)-3,4,5-trihydroxypentanal
• SMILES: CCCP(c1ccccc1)c1ccccc1.NCCNCCN.O=CC[C@H](O)[C@H](O)CO
• InChI: InChI=1S/C15H17P.C5H10O4.C4H13N3/c1-2-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;6-2-1-4(8)5(9)3-7;5-1-3-7-4-2-6/h3-12H,2,13H2,1H3;2,4-5,7-9H,1,3H2;7H,1-6H2/t;4-,5+;/m.0./s1
• InChIKey: NUERYBYVMSGFTL-GKAHHYJLSA-N
• XLogP: 0.31
• TPSA: 141.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.58
LogP ≤ 5	0.31
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;diphenyl(propyl)phosphane;(3S,4R)-3,4,5-trihydroxypentanal?

The IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;diphenyl(propyl)phosphane;(3S,4R)-3,4,5-trihydroxypentanal (CID 174817207) is N'-(2-aminoethyl)ethane-1,2-diamine;diphenyl(propyl)phosphane;(3S,4R)-3,4,5-trihydroxypentanal.

What is the SMILES notation for N'-(2-aminoethyl)ethane-1,2-diamine;diphenyl(propyl)phosphane;(3S,4R)-3,4,5-trihydroxypentanal?

The canonical SMILES for N'-(2-aminoethyl)ethane-1,2-diamine;diphenyl(propyl)phosphane;(3S,4R)-3,4,5-trihydroxypentanal is CCCP(c1ccccc1)c1ccccc1.NCCNCCN.O=CC[C@H](O)[C@H](O)CO.

What is the InChIKey of N'-(2-aminoethyl)ethane-1,2-diamine;diphenyl(propyl)phosphane;(3S,4R)-3,4,5-trihydroxypentanal?

The InChIKey is NUERYBYVMSGFTL-GKAHHYJLSA-N. The full InChI is InChI=1S/C15H17P.C5H10O4.C4H13N3/c1-2-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;6-2-1-4(8)5(9)3-7;5-1-3-7-4-2-6/h3-12H,2,13H2,1H3;2,4-5,7-9H,1,3H2;7H,1-6H2/t;4-,5+;/m.0./s1.

What are the key properties of N'-(2-aminoethyl)ethane-1,2-diamine;diphenyl(propyl)phosphane;(3S,4R)-3,4,5-trihydroxypentanal?

N'-(2-aminoethyl)ethane-1,2-diamine;diphenyl(propyl)phosphane;(3S,4R)-3,4,5-trihydroxypentanal has a molecular weight of 465.58 g/mol, XLogP of 0.31, 12 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(2-aminoethyl)ethane-1,2-diamine;diphenyl(propyl)phosphane;(3S,4R)-3,4,5-trihydroxypentanal is sourced from PubChem (CID 174817207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).