5-[2-cyanoethyl(2-methylpropyl)amino]pentanenitrile

C12H21N3 — CID 55028946

IUPAC5-[2-cyanoethyl(2-methylpropyl)amino]pentanenitrile
SMILESCC(C)CN(CCC#N)CCCCC#N
InChIInChI=1S/C12H21N3/c1-12(2)11-15(10-6-8-14)9-5-3-4-7-13/h12H,3-6,9-11H2,1-2H3
InChIKeyJOTCJJCADILWJW-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.55
Rot. Bonds8

About 5-[2-cyanoethyl(2-methylpropyl)amino]pentanenitrile

5-[2-cyanoethyl(2-methylpropyl)amino]pentanenitrile (PubChem CID 55028946) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-[2-cyanoethyl(2-methylpropyl)amino]pentanenitrile.

Molecular Properties

Compound Name5-[2-cyanoethyl(2-methylpropyl)amino]pentanenitrile
PubChem CID55028946
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name5-[2-cyanoethyl(2-methylpropyl)amino]pentanenitrile
SMILESCC(C)CN(CCC#N)CCCCC#N
InChIInChI=1S/C12H21N3/c1-12(2)11-15(10-6-8-14)9-5-3-4-7-13/h12H,3-6,9-11H2,1-2H3
InChIKeyJOTCJJCADILWJW-UHFFFAOYSA-N
XLogP2.55
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[dodecyl(2-methylpropyl)amino]propanenitrile
CID 63517908
3-[2-methylpropyl(octyl)amino]propanenitrile
CID 63516603
3-[2-methylpropyl(4-oxopentyl)amino]propanenitrile
CID 62052627
3-[3-ethylsulfonylpropyl(2-methylpropyl)amino]propanenitrile
CID 65092853
3-[2-ethylsulfanylethyl(2-methylpropyl)amino]propanenitrile
CID 115647789
3-[2-[(2-methylpropan-2-yl)oxy]ethyl-(2-methylpropyl)amino]propanenitrile
CID 112692573
3-[2-(4-methylpiperazin-1-yl)ethyl-(2-methylpropyl)amino]propanenitrile
CID 82892301
7-(diethylamino)heptanenitrile
CID 3857194
3-[2-methylpropyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanenitrile
CID 63900625
3-[4-chlorobut-2-enyl(2-methylpropyl)amino]propanenitrile
CID 77051854
2-[[2-cyanoethyl(2-methylpropyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367843
2-[3-cyanopropyl(2-methylpropyl)amino]acetamide
CID 60969371

Frequently Asked Questions

What is the IUPAC name of 5-[2-cyanoethyl(2-methylpropyl)amino]pentanenitrile?
The IUPAC name of 5-[2-cyanoethyl(2-methylpropyl)amino]pentanenitrile (CID 55028946) is 5-[2-cyanoethyl(2-methylpropyl)amino]pentanenitrile.
What is the SMILES notation for 5-[2-cyanoethyl(2-methylpropyl)amino]pentanenitrile?
The canonical SMILES for 5-[2-cyanoethyl(2-methylpropyl)amino]pentanenitrile is CC(C)CN(CCC#N)CCCCC#N.
What is the InChIKey of 5-[2-cyanoethyl(2-methylpropyl)amino]pentanenitrile?
The InChIKey is JOTCJJCADILWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-12(2)11-15(10-6-8-14)9-5-3-4-7-13/h12H,3-6,9-11H2,1-2H3.
What are the key properties of 5-[2-cyanoethyl(2-methylpropyl)amino]pentanenitrile?
5-[2-cyanoethyl(2-methylpropyl)amino]pentanenitrile has a molecular weight of 207.32 g/mol, XLogP of 2.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyanoethyl(2-methylpropyl)amino]pentanenitrile is sourced from PubChem (CID 55028946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).