3-(dimethylamino)-2-ethylbutanenitrile

C8H16N2 — CID 116913663

IUPAC3-(dimethylamino)-2-ethylbutanenitrile
SMILESCCC(C#N)C(C)N(C)C
InChIInChI=1S/C8H16N2/c1-5-8(6-9)7(2)10(3)4/h7-8H,5H2,1-4H3
InChIKeyVLJFEJLFCLPSTD-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.49
Rot. Bonds3

About 3-(dimethylamino)-2-ethylbutanenitrile

3-(dimethylamino)-2-ethylbutanenitrile (PubChem CID 116913663) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-(dimethylamino)-2-ethylbutanenitrile.

Molecular Properties

Compound Name3-(dimethylamino)-2-ethylbutanenitrile
PubChem CID116913663
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-(dimethylamino)-2-ethylbutanenitrile
SMILESCCC(C#N)C(C)N(C)C
InChIInChI=1S/C8H16N2/c1-5-8(6-9)7(2)10(3)4/h7-8H,5H2,1-4H3
InChIKeyVLJFEJLFCLPSTD-UHFFFAOYSA-N
XLogP1.49
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-ethylbutanenitrile?
The IUPAC name of 3-(dimethylamino)-2-ethylbutanenitrile (CID 116913663) is 3-(dimethylamino)-2-ethylbutanenitrile.
What is the SMILES notation for 3-(dimethylamino)-2-ethylbutanenitrile?
The canonical SMILES for 3-(dimethylamino)-2-ethylbutanenitrile is CCC(C#N)C(C)N(C)C.
What is the InChIKey of 3-(dimethylamino)-2-ethylbutanenitrile?
The InChIKey is VLJFEJLFCLPSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-8(6-9)7(2)10(3)4/h7-8H,5H2,1-4H3.
What are the key properties of 3-(dimethylamino)-2-ethylbutanenitrile?
3-(dimethylamino)-2-ethylbutanenitrile has a molecular weight of 140.23 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-ethylbutanenitrile is sourced from PubChem (CID 116913663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).