2-[2-[2-[3-[2-[2-aminoethyl(cyanomethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethyl-[2-(cyanomethylamino)ethyl]amino]ethylamino]acetonitrile

C19H34N10O — CID 164526695

About 2-[2-[2-[3-[2-[2-aminoethyl(cyanomethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethyl-[2-(cyanomethylamino)ethyl]amino]ethylamino]acetonitrile

2-[2-[2-[3-[2-[2-aminoethyl(cyanomethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethyl-[2-(cyanomethylamino)ethyl]amino]ethylamino]acetonitrile (PubChem CID 164526695) has the molecular formula C19H34N10O and a molecular weight of 418.55 g/mol. Its IUPAC name is 2-[2-[2-[3-[2-[2-aminoethyl(cyanomethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethyl-[2-(cyanomethylamino)ethyl]amino]ethylamino]acetonitrile.

Molecular Properties

• Compound Name: 2-[2-[2-[3-[2-[2-aminoethyl(cyanomethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethyl-[2-(cyanomethylamino)ethyl]amino]ethylamino]acetonitrile
• PubChem CID: 164526695
• Molecular Formula: C19H34N10O
• Molecular Weight: 418.55 g/mol
• Exact Mass: 418.29
• IUPAC Name: 2-[2-[2-[3-[2-[2-aminoethyl(cyanomethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethyl-[2-(cyanomethylamino)ethyl]amino]ethylamino]acetonitrile
• SMILES: N#CCNCCN(CCNCC#N)CCN1CCN(CCN(CC#N)CCN)C1=O
• InChI: InChI=1S/C19H34N10O/c20-1-5-24-7-11-27(12-8-25-6-2-21)14-16-29-18-17-28(19(29)30)15-13-26(9-3-22)10-4-23/h24-25H,3,5-18,22H2
• InChIKey: FYZFZRXFNRISMZ-UHFFFAOYSA-N
• XLogP: -1.96
• TPSA: 151.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.55
LogP ≤ 5	-1.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[3-[2-[2-aminoethyl(cyanomethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethyl-[2-(cyanomethylamino)ethyl]amino]ethylamino]acetonitrile?

The IUPAC name of 2-[2-[2-[3-[2-[2-aminoethyl(cyanomethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethyl-[2-(cyanomethylamino)ethyl]amino]ethylamino]acetonitrile (CID 164526695) is 2-[2-[2-[3-[2-[2-aminoethyl(cyanomethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethyl-[2-(cyanomethylamino)ethyl]amino]ethylamino]acetonitrile.

What is the SMILES notation for 2-[2-[2-[3-[2-[2-aminoethyl(cyanomethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethyl-[2-(cyanomethylamino)ethyl]amino]ethylamino]acetonitrile?

The canonical SMILES for 2-[2-[2-[3-[2-[2-aminoethyl(cyanomethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethyl-[2-(cyanomethylamino)ethyl]amino]ethylamino]acetonitrile is N#CCNCCN(CCNCC#N)CCN1CCN(CCN(CC#N)CCN)C1=O.

What is the InChIKey of 2-[2-[2-[3-[2-[2-aminoethyl(cyanomethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethyl-[2-(cyanomethylamino)ethyl]amino]ethylamino]acetonitrile?

The InChIKey is FYZFZRXFNRISMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N10O/c20-1-5-24-7-11-27(12-8-25-6-2-21)14-16-29-18-17-28(19(29)30)15-13-26(9-3-22)10-4-23/h24-25H,3,5-18,22H2.

What are the key properties of 2-[2-[2-[3-[2-[2-aminoethyl(cyanomethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethyl-[2-(cyanomethylamino)ethyl]amino]ethylamino]acetonitrile?

2-[2-[2-[3-[2-[2-aminoethyl(cyanomethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethyl-[2-(cyanomethylamino)ethyl]amino]ethylamino]acetonitrile has a molecular weight of 418.55 g/mol, XLogP of -1.96, 17 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[3-[2-[2-aminoethyl(cyanomethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethyl-[2-(cyanomethylamino)ethyl]amino]ethylamino]acetonitrile is sourced from PubChem (CID 164526695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).