3-[2-[bis(2-cyanoethyl)amino]ethyl-(2-cyanoethyl)amino]propanenitrile

C14H20N6 — CID 3084891

IUPAC3-[2-[bis(2-cyanoethyl)amino]ethyl-(2-cyanoethyl)amino]propanenitrile
SMILESN#CCCN(CCC#N)CCN(CCC#N)CCC#N
InChIInChI=1S/C14H20N6/c15-5-1-9-19(10-2-6-16)13-14-20(11-3-7-17)12-4-8-18/h1-4,9-14H2
InChIKeyMXHIGVLOGPIQHM-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.25
Rot. Bonds11

About 3-[2-[bis(2-cyanoethyl)amino]ethyl-(2-cyanoethyl)amino]propanenitrile

3-[2-[bis(2-cyanoethyl)amino]ethyl-(2-cyanoethyl)amino]propanenitrile (PubChem CID 3084891) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 3-[2-[bis(2-cyanoethyl)amino]ethyl-(2-cyanoethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-[bis(2-cyanoethyl)amino]ethyl-(2-cyanoethyl)amino]propanenitrile
PubChem CID3084891
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name3-[2-[bis(2-cyanoethyl)amino]ethyl-(2-cyanoethyl)amino]propanenitrile
SMILESN#CCCN(CCC#N)CCN(CCC#N)CCC#N
InChIInChI=1S/C14H20N6/c15-5-1-9-19(10-2-6-16)13-14-20(11-3-7-17)12-4-8-18/h1-4,9-14H2
InChIKeyMXHIGVLOGPIQHM-UHFFFAOYSA-N
XLogP1.25
TPSA101.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[bis(2-cyanoethyl)amino]ethyl-(2-cyanoethyl)amino]propanenitrile?
The IUPAC name of 3-[2-[bis(2-cyanoethyl)amino]ethyl-(2-cyanoethyl)amino]propanenitrile (CID 3084891) is 3-[2-[bis(2-cyanoethyl)amino]ethyl-(2-cyanoethyl)amino]propanenitrile.
What is the SMILES notation for 3-[2-[bis(2-cyanoethyl)amino]ethyl-(2-cyanoethyl)amino]propanenitrile?
The canonical SMILES for 3-[2-[bis(2-cyanoethyl)amino]ethyl-(2-cyanoethyl)amino]propanenitrile is N#CCCN(CCC#N)CCN(CCC#N)CCC#N.
What is the InChIKey of 3-[2-[bis(2-cyanoethyl)amino]ethyl-(2-cyanoethyl)amino]propanenitrile?
The InChIKey is MXHIGVLOGPIQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c15-5-1-9-19(10-2-6-16)13-14-20(11-3-7-17)12-4-8-18/h1-4,9-14H2.
What are the key properties of 3-[2-[bis(2-cyanoethyl)amino]ethyl-(2-cyanoethyl)amino]propanenitrile?
3-[2-[bis(2-cyanoethyl)amino]ethyl-(2-cyanoethyl)amino]propanenitrile has a molecular weight of 272.36 g/mol, XLogP of 1.25, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[bis(2-cyanoethyl)amino]ethyl-(2-cyanoethyl)amino]propanenitrile is sourced from PubChem (CID 3084891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).