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

C19H34N10O — CID 164526732

IUPAC2-[2-[3-[2-[bis(2-aminoethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethyl-[2-[bis(cyanomethyl)amino]ethyl]amino]acetonitrile
SMILESN#CCN(CC#N)CCN(CC#N)CCN1CCN(CCN(CCN)CCN)C1=O
InChIInChI=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
InChIKeyMKWQFOISFFXKDC-UHFFFAOYSA-N
MW418.55 g/mol
LogP-1.88
Rot. Bonds16

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 Name2-[2-[3-[2-[bis(2-aminoethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethyl-[2-[bis(cyanomethyl)amino]ethyl]amino]acetonitrile
PubChem CID164526732
Molecular FormulaC19H34N10O
Molecular Weight418.55 g/mol
Exact Mass418.29
IUPAC Name2-[2-[3-[2-[bis(2-aminoethyl)amino]ethyl]-2-oxoimidazolidin-1-yl]ethyl-[2-[bis(cyanomethyl)amino]ethyl]amino]acetonitrile
SMILESN#CCN(CC#N)CCN(CC#N)CCN1CCN(CCN(CCN)CCN)C1=O
InChIInChI=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
InChIKeyMKWQFOISFFXKDC-UHFFFAOYSA-N
XLogP-1.88
TPSA156.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 5-1.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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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).