2-[2-[bis(cyanomethyl)amino]ethyl-(cyanomethyl)amino]acetonitrile

C10H12N6 — CID 21984

IUPAC2-[2-[bis(cyanomethyl)amino]ethyl-(cyanomethyl)amino]acetonitrile
SMILESN#CCN(CC#N)CCN(CC#N)CC#N
InChIInChI=1S/C10H12N6/c11-1-5-15(6-2-12)9-10-16(7-3-13)8-4-14/h5-10H2
InChIKeyFDWRKVKXYZRYOD-UHFFFAOYSA-N
MW216.25 g/mol
LogP-0.32
Rot. Bonds7

About 2-[2-[bis(cyanomethyl)amino]ethyl-(cyanomethyl)amino]acetonitrile

2-[2-[bis(cyanomethyl)amino]ethyl-(cyanomethyl)amino]acetonitrile (PubChem CID 21984) has the molecular formula C10H12N6 and a molecular weight of 216.25 g/mol. Its IUPAC name is 2-[2-[bis(cyanomethyl)amino]ethyl-(cyanomethyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[2-[bis(cyanomethyl)amino]ethyl-(cyanomethyl)amino]acetonitrile
PubChem CID21984
Molecular FormulaC10H12N6
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name2-[2-[bis(cyanomethyl)amino]ethyl-(cyanomethyl)amino]acetonitrile
SMILESN#CCN(CC#N)CCN(CC#N)CC#N
InChIInChI=1S/C10H12N6/c11-1-5-15(6-2-12)9-10-16(7-3-13)8-4-14/h5-10H2
InChIKeyFDWRKVKXYZRYOD-UHFFFAOYSA-N
XLogP-0.32
TPSA101.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Acetonitrile, 2,2',2'',2'''-(((cyanomethyl)imino)bis(2,1-ethanediylnitrilo))tetrakis-
CID 314173
Acetonitrile, (N,N'-dimethylethylenedinitrilo)di-
CID 21985
Propanenitrile, 3,3',3'',3'''-(1,2-ethanediyldinitrilo)tetrakis-
CID 3084891
2-[4,7,10-Tris(cyanomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetonitrile
CID 384585
1,4-Piperazinediacetonitrile
CID 258199
1,4,7-Tris(cyanomethyl)-1,4,7-triazacyclononane
CID 15491644
2-[2-(Dimethylamino)ethyl-methylamino]acetonitrile
CID 61899955
2-isocyano-N,N-bis(2-isocyanoethyl)ethanamine
CID 101946286
N,N'-bis(cyanomethyl)-N,N,N',N'-tetramethylethane-1,2-diaminium dichloride
CID 14548572
Cyanomethyl-[2-[cyanomethyl(dimethyl)azaniumyl]ethyl]-dimethylazanium
CID 14548573
2-[Cyanomethyl(2-isocyanoethyl)amino]acetonitrile
CID 20728956
3-[2-Cyanoethyl(2-isocyanoethyl)amino]propanenitrile
CID 20728961

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(cyanomethyl)amino]ethyl-(cyanomethyl)amino]acetonitrile?
The IUPAC name of 2-[2-[bis(cyanomethyl)amino]ethyl-(cyanomethyl)amino]acetonitrile (CID 21984) is 2-[2-[bis(cyanomethyl)amino]ethyl-(cyanomethyl)amino]acetonitrile.
What is the SMILES notation for 2-[2-[bis(cyanomethyl)amino]ethyl-(cyanomethyl)amino]acetonitrile?
The canonical SMILES for 2-[2-[bis(cyanomethyl)amino]ethyl-(cyanomethyl)amino]acetonitrile is N#CCN(CC#N)CCN(CC#N)CC#N.
What is the InChIKey of 2-[2-[bis(cyanomethyl)amino]ethyl-(cyanomethyl)amino]acetonitrile?
The InChIKey is FDWRKVKXYZRYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6/c11-1-5-15(6-2-12)9-10-16(7-3-13)8-4-14/h5-10H2.
What are the key properties of 2-[2-[bis(cyanomethyl)amino]ethyl-(cyanomethyl)amino]acetonitrile?
2-[2-[bis(cyanomethyl)amino]ethyl-(cyanomethyl)amino]acetonitrile has a molecular weight of 216.25 g/mol, XLogP of -0.32, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(cyanomethyl)amino]ethyl-(cyanomethyl)amino]acetonitrile is sourced from PubChem (CID 21984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).