2-(dibutylamino)pentanenitrile

C13H26N2 — CID 13446503

IUPAC2-(dibutylamino)pentanenitrile
SMILESCCCCN(CCCC)C(C#N)CCC
InChIInChI=1S/C13H26N2/c1-4-7-10-15(11-8-5-2)13(12-14)9-6-3/h13H,4-11H2,1-3H3
InChIKeyWUTVDWVWNGKTTE-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.58
Rot. Bonds9

About 2-(dibutylamino)pentanenitrile

2-(dibutylamino)pentanenitrile (PubChem CID 13446503) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-(dibutylamino)pentanenitrile.

Molecular Properties

Compound Name2-(dibutylamino)pentanenitrile
PubChem CID13446503
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-(dibutylamino)pentanenitrile
SMILESCCCCN(CCCC)C(C#N)CCC
InChIInChI=1S/C13H26N2/c1-4-7-10-15(11-8-5-2)13(12-14)9-6-3/h13H,4-11H2,1-3H3
InChIKeyWUTVDWVWNGKTTE-UHFFFAOYSA-N
XLogP3.58
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)pentanenitrile?
The IUPAC name of 2-(dibutylamino)pentanenitrile (CID 13446503) is 2-(dibutylamino)pentanenitrile.
What is the SMILES notation for 2-(dibutylamino)pentanenitrile?
The canonical SMILES for 2-(dibutylamino)pentanenitrile is CCCCN(CCCC)C(C#N)CCC.
What is the InChIKey of 2-(dibutylamino)pentanenitrile?
The InChIKey is WUTVDWVWNGKTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-7-10-15(11-8-5-2)13(12-14)9-6-3/h13H,4-11H2,1-3H3.
What are the key properties of 2-(dibutylamino)pentanenitrile?
2-(dibutylamino)pentanenitrile has a molecular weight of 210.36 g/mol, XLogP of 3.58, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)pentanenitrile is sourced from PubChem (CID 13446503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).