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

C19H34N10O — CID 164526732

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

2-[2-[3-[2-[bis(2-aminoethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethyl-[2-[bis(cyanomethyl)amino]ethyl]amino]acetonitrile (PubChem CID 164526732) has the molecular formula C19H34N10O and a molecular weight of 418.55 g/mol. Its IUPAC name is 2-[2-[3-[2-[bis(2-aminoethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethyl-[2-[bis(cyanomethyl)amino]ethyl]amino]acetonitrile.

Molecular Properties

• Compound Name: 2-[2-[3-[2-[bis(2-aminoethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethyl-[2-[bis(cyanomethyl)amino]ethyl]amino]acetonitrile
• PubChem CID: 164526732
• Molecular Formula: C19H34N10O
• Molecular Weight: 418.55 g/mol
• Exact Mass: 418.29
• IUPAC Name: 2-[2-[3-[2-[bis(2-aminoethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethyl-[2-[bis(cyanomethyl)amino]ethyl]amino]acetonitrile
• SMILES: N#CCN(CC#N)CCN(CC#N)CCN1CCN(CCN(CCN)CCN)C1=O
• InChI: InChI=1S/C19H34N10O/c20-1-6-25(7-2-21)11-12-27(10-5-24)14-16-29-18-17-28(19(29)30)15-13-26(8-3-22)9-4-23/h3-4,6-18,22-23H2
• InChIKey: MKWQFOISFFXKDC-UHFFFAOYSA-N
• XLogP: -1.88
• TPSA: 156.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.55
LogP ≤ 5	-1.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[2-[3-[2-[bis(2-aminoethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethyl-[2-[bis(cyanomethyl)amino]ethyl]amino]acetonitrile (CID 164526732) is 2-[2-[3-[2-[bis(2-aminoethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethyl-[2-[bis(cyanomethyl)amino]ethyl]amino]acetonitrile.

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

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

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

The InChIKey is MKWQFOISFFXKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N10O/c20-1-6-25(7-2-21)11-12-27(10-5-24)14-16-29-18-17-28(19(29)30)15-13-26(8-3-22)9-4-23/h3-4,6-18,22-23H2.

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

2-[2-[3-[2-[bis(2-aminoethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethyl-[2-[bis(cyanomethyl)amino]ethyl]amino]acetonitrile has a molecular weight of 418.55 g/mol, XLogP of -1.88, 16 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-[2-[bis(2-aminoethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethyl-[2-[bis(cyanomethyl)amino]ethyl]amino]acetonitrile is sourced from PubChem (CID 164526732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).