3-[3-[2-cyanoethyl-[3-(2-cyanoethylamino)propyl]amino]propylamino]propanenitrile

C15H26N6 — CID 102421593

IUPAC3-[3-[2-cyanoethyl-[3-(2-cyanoethylamino)propyl]amino]propylamino]propanenitrile
SMILESN#CCCNCCCN(CCC#N)CCCNCCC#N
InChIInChI=1S/C15H26N6/c16-6-1-9-19-11-4-14-21(13-3-8-18)15-5-12-20-10-2-7-17/h19-20H,1-5,9-15H2
InChIKeyGCYPUOXCONKRRG-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.99
Rot. Bonds14

About 3-[3-[2-cyanoethyl-[3-(2-cyanoethylamino)propyl]amino]propylamino]propanenitrile

3-[3-[2-cyanoethyl-[3-(2-cyanoethylamino)propyl]amino]propylamino]propanenitrile (PubChem CID 102421593) has the molecular formula C15H26N6 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[3-[2-cyanoethyl-[3-(2-cyanoethylamino)propyl]amino]propylamino]propanenitrile.

Molecular Properties

Compound Name3-[3-[2-cyanoethyl-[3-(2-cyanoethylamino)propyl]amino]propylamino]propanenitrile
PubChem CID102421593
Molecular FormulaC15H26N6
Molecular Weight290.41 g/mol
Exact Mass290.22
IUPAC Name3-[3-[2-cyanoethyl-[3-(2-cyanoethylamino)propyl]amino]propylamino]propanenitrile
SMILESN#CCCNCCCN(CCC#N)CCCNCCC#N
InChIInChI=1S/C15H26N6/c16-6-1-9-19-11-4-14-21(13-3-8-18)15-5-12-20-10-2-7-17/h19-20H,1-5,9-15H2
InChIKeyGCYPUOXCONKRRG-UHFFFAOYSA-N
XLogP0.99
TPSA98.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[bis(2-cyanoethyl)amino]butylamino]propanenitrile
CID 100994583
3-(2-cyanoethylamino)propanenitrile
CID 160846337
3-[2-[2-[2-[bis(2-cyanoethyl)amino]ethoxy]propan-2-yloxy]ethylamino]propanenitrile
CID 178166458
3-[2-(3-aminopropylamino)ethylamino]propanenitrile
CID 87435934
3-(10-aminodecylamino)propanenitrile
CID 129353819
3-[2-cyanoethyl(hexyl)amino]propanenitrile
CID 16733110
3-(hex-5-ynylamino)propanenitrile
CID 106211843
3-[2-cyanoethyl(3-methoxypropyl)amino]propanenitrile
CID 22497852
2-[3-[3-[bis(2-hydroxyethyl)amino]propylamino]propyl-(2-hydroxyethyl)amino]ethanol;trihydrofluoride
CID 173445075
3-[2-[ethyl(methyl)amino]ethylamino]propanenitrile
CID 62639936
3-(hex-5-enylamino)propanenitrile
CID 101282809
2-[cyanomethyl-[3-(ethylamino)propyl]amino]acetonitrile
CID 61386763

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-cyanoethyl-[3-(2-cyanoethylamino)propyl]amino]propylamino]propanenitrile?
The IUPAC name of 3-[3-[2-cyanoethyl-[3-(2-cyanoethylamino)propyl]amino]propylamino]propanenitrile (CID 102421593) is 3-[3-[2-cyanoethyl-[3-(2-cyanoethylamino)propyl]amino]propylamino]propanenitrile.
What is the SMILES notation for 3-[3-[2-cyanoethyl-[3-(2-cyanoethylamino)propyl]amino]propylamino]propanenitrile?
The canonical SMILES for 3-[3-[2-cyanoethyl-[3-(2-cyanoethylamino)propyl]amino]propylamino]propanenitrile is N#CCCNCCCN(CCC#N)CCCNCCC#N.
What is the InChIKey of 3-[3-[2-cyanoethyl-[3-(2-cyanoethylamino)propyl]amino]propylamino]propanenitrile?
The InChIKey is GCYPUOXCONKRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c16-6-1-9-19-11-4-14-21(13-3-8-18)15-5-12-20-10-2-7-17/h19-20H,1-5,9-15H2.
What are the key properties of 3-[3-[2-cyanoethyl-[3-(2-cyanoethylamino)propyl]amino]propylamino]propanenitrile?
3-[3-[2-cyanoethyl-[3-(2-cyanoethylamino)propyl]amino]propylamino]propanenitrile has a molecular weight of 290.41 g/mol, XLogP of 0.99, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-cyanoethyl-[3-(2-cyanoethylamino)propyl]amino]propylamino]propanenitrile is sourced from PubChem (CID 102421593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).