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

C13H27N7O — CID 164526741

IUPAC2-[2-[3-[2-[bis(2-aminoethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethylamino]acetonitrile
SMILESN#CCNCCN1CCN(CCN(CCN)CCN)C1=O
InChIInChI=1S/C13H27N7O/c14-1-4-17-5-8-19-11-12-20(13(19)21)10-9-18(6-2-15)7-3-16/h17H,2-12,15-16H2
InChIKeyPDKNWXCGTHFLFW-UHFFFAOYSA-N
MW297.41 g/mol
LogP-1.94
Rot. Bonds11

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

2-[2-[3-[2-[bis(2-aminoethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethylamino]acetonitrile (PubChem CID 164526741) has the molecular formula C13H27N7O and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-[2-[3-[2-[bis(2-aminoethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethylamino]acetonitrile.

Molecular Properties

Compound Name2-[2-[3-[2-[bis(2-aminoethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethylamino]acetonitrile
PubChem CID164526741
Molecular FormulaC13H27N7O
Molecular Weight297.41 g/mol
Exact Mass297.23
IUPAC Name2-[2-[3-[2-[bis(2-aminoethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethylamino]acetonitrile
SMILESN#CCNCCN1CCN(CCN(CCN)CCN)C1=O
InChIInChI=1S/C13H27N7O/c14-1-4-17-5-8-19-11-12-20(13(19)21)10-9-18(6-2-15)7-3-16/h17H,2-12,15-16H2
InChIKeyPDKNWXCGTHFLFW-UHFFFAOYSA-N
XLogP-1.94
TPSA114.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 5-1.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[3-[2-[2-aminoethyl(cyanomethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethyl-[2-(cyanomethylamino)ethyl]amino]ethylamino]acetonitrile
CID 164526695
2-[2-[2-aminoethyl-[2-[3-[2-[2-aminoethyl(cyanomethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethyl]amino]ethylamino]acetonitrile
CID 164526734
2-[2-[3-[2-[2-[bis(cyanomethyl)amino]ethyl-[2-(cyanomethylamino)ethyl]amino]ethyl]-2-oxoimidazolidin-1-yl]ethylamino]acetonitrile
CID 164526669
2-[2-[2-[3-[2-[2-[bis(cyanomethyl)amino]ethylamino]ethyl]-2-oxoimidazolidin-1-yl]ethyl-[2-(cyanomethylamino)ethyl]amino]ethylamino]acetonitrile
CID 164526698
2-[2-aminoethyl-[2-[3-[2-[2-aminoethyl-[2-[bis(cyanomethyl)amino]ethyl]amino]ethyl]-2-oxoimidazolidin-1-yl]ethyl]amino]acetonitrile
CID 164526676
2-[2-[3-[2-[bis(2-aminoethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethyl-[2-[bis(cyanomethyl)amino]ethyl]amino]acetonitrile
CID 164526732
1-[2-[2-aminoethyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]ethyl]pyrrolidin-2-one
CID 70355592
2-[2-[3-[2-[bis(isocyanomethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethyl-(cyanomethyl)amino]acetonitrile
CID 171441821
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1-[2-(2-aminoethylamino)ethyl]imidazolidin-2-one;N'-(2-aminoethyl)-N'-(aminomethyl)ethane-1,2-diamine;1-(2-aminoethyl)imidazolidin-2-one;1,3-bis(2-aminoethyl)imidazolidin-2-one;ethane-1,2-diamine;imidazolidin-2-one;1-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-2-one;pentane-1,5-diamine
CID 158050196
2-[2-[4-(cyanomethyl)piperazin-1-yl]ethylamino]acetonitrile
CID 25027336
2-(3-aminopropylamino)acetonitrile
CID 62273668
2-[2-(2-aminoethylamino)ethylamino]acetonitrile
CID 55285258

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-[bis(2-aminoethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethylamino]acetonitrile?
The IUPAC name of 2-[2-[3-[2-[bis(2-aminoethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethylamino]acetonitrile (CID 164526741) is 2-[2-[3-[2-[bis(2-aminoethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethylamino]acetonitrile.
What is the SMILES notation for 2-[2-[3-[2-[bis(2-aminoethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethylamino]acetonitrile?
The canonical SMILES for 2-[2-[3-[2-[bis(2-aminoethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethylamino]acetonitrile is N#CCNCCN1CCN(CCN(CCN)CCN)C1=O.
What is the InChIKey of 2-[2-[3-[2-[bis(2-aminoethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethylamino]acetonitrile?
The InChIKey is PDKNWXCGTHFLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N7O/c14-1-4-17-5-8-19-11-12-20(13(19)21)10-9-18(6-2-15)7-3-16/h17H,2-12,15-16H2.
What are the key properties of 2-[2-[3-[2-[bis(2-aminoethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethylamino]acetonitrile?
2-[2-[3-[2-[bis(2-aminoethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethylamino]acetonitrile has a molecular weight of 297.41 g/mol, XLogP of -1.94, 11 rotatable bonds, 3 hydrogen bond donors, and 6 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]ethylamino]acetonitrile is sourced from PubChem (CID 164526741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).