2-(dimethylamino)-3-methylbutanenitrile

C7H14N2 — CID 11815869

IUPAC2-(dimethylamino)-3-methylbutanenitrile
SMILESCC(C)C(C#N)N(C)C
InChIInChI=1S/C7H14N2/c1-6(2)7(5-8)9(3)4/h6-7H,1-4H3
InChIKeyFOBFIUYCGIYYQP-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.10
Rot. Bonds2

About 2-(dimethylamino)-3-methylbutanenitrile

2-(dimethylamino)-3-methylbutanenitrile (PubChem CID 11815869) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-(dimethylamino)-3-methylbutanenitrile.

Molecular Properties

Compound Name2-(dimethylamino)-3-methylbutanenitrile
PubChem CID11815869
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2-(dimethylamino)-3-methylbutanenitrile
SMILESCC(C)C(C#N)N(C)C
InChIInChI=1S/C7H14N2/c1-6(2)7(5-8)9(3)4/h6-7H,1-4H3
InChIKeyFOBFIUYCGIYYQP-UHFFFAOYSA-N
XLogP1.10
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-methylbutanenitrile?
The IUPAC name of 2-(dimethylamino)-3-methylbutanenitrile (CID 11815869) is 2-(dimethylamino)-3-methylbutanenitrile.
What is the SMILES notation for 2-(dimethylamino)-3-methylbutanenitrile?
The canonical SMILES for 2-(dimethylamino)-3-methylbutanenitrile is CC(C)C(C#N)N(C)C.
What is the InChIKey of 2-(dimethylamino)-3-methylbutanenitrile?
The InChIKey is FOBFIUYCGIYYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(2)7(5-8)9(3)4/h6-7H,1-4H3.
What are the key properties of 2-(dimethylamino)-3-methylbutanenitrile?
2-(dimethylamino)-3-methylbutanenitrile has a molecular weight of 126.20 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-methylbutanenitrile is sourced from PubChem (CID 11815869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).