2-(dibutylamino)-2-methylpropanenitrile

C12H24N2 — CID 21483393

IUPAC2-(dibutylamino)-2-methylpropanenitrile
SMILESCCCCN(CCCC)C(C)(C)C#N
InChIInChI=1S/C12H24N2/c1-5-7-9-14(10-8-6-2)12(3,4)11-13/h5-10H2,1-4H3
InChIKeyVTJNJUZWDAJJKL-UHFFFAOYSA-N
MW196.34 g/mol
LogP3.19
Rot. Bonds7

About 2-(dibutylamino)-2-methylpropanenitrile

2-(dibutylamino)-2-methylpropanenitrile (PubChem CID 21483393) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-(dibutylamino)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(dibutylamino)-2-methylpropanenitrile
PubChem CID21483393
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2-(dibutylamino)-2-methylpropanenitrile
SMILESCCCCN(CCCC)C(C)(C)C#N
InChIInChI=1S/C12H24N2/c1-5-7-9-14(10-8-6-2)12(3,4)11-13/h5-10H2,1-4H3
InChIKeyVTJNJUZWDAJJKL-UHFFFAOYSA-N
XLogP3.19
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)-2-methylpropanenitrile?
The IUPAC name of 2-(dibutylamino)-2-methylpropanenitrile (CID 21483393) is 2-(dibutylamino)-2-methylpropanenitrile.
What is the SMILES notation for 2-(dibutylamino)-2-methylpropanenitrile?
The canonical SMILES for 2-(dibutylamino)-2-methylpropanenitrile is CCCCN(CCCC)C(C)(C)C#N.
What is the InChIKey of 2-(dibutylamino)-2-methylpropanenitrile?
The InChIKey is VTJNJUZWDAJJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-7-9-14(10-8-6-2)12(3,4)11-13/h5-10H2,1-4H3.
What are the key properties of 2-(dibutylamino)-2-methylpropanenitrile?
2-(dibutylamino)-2-methylpropanenitrile has a molecular weight of 196.34 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)-2-methylpropanenitrile is sourced from PubChem (CID 21483393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).