2-ethyl-2-(methylamino)butanenitrile

C7H14N2 — CID 43115036

IUPAC2-ethyl-2-(methylamino)butanenitrile
SMILESCCC(C#N)(CC)NC
InChIInChI=1S/C7H14N2/c1-4-7(5-2,6-8)9-3/h9H,4-5H2,1-3H3
InChIKeyKTYMOYWATLKXIY-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.29
Rot. Bonds3

About 2-ethyl-2-(methylamino)butanenitrile

2-ethyl-2-(methylamino)butanenitrile (PubChem CID 43115036) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-ethyl-2-(methylamino)butanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(methylamino)butanenitrile
PubChem CID43115036
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2-ethyl-2-(methylamino)butanenitrile
SMILESCCC(C#N)(CC)NC
InChIInChI=1S/C7H14N2/c1-4-7(5-2,6-8)9-3/h9H,4-5H2,1-3H3
InChIKeyKTYMOYWATLKXIY-UHFFFAOYSA-N
XLogP1.29
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylamino)butanenitrile?
The IUPAC name of 2-ethyl-2-(methylamino)butanenitrile (CID 43115036) is 2-ethyl-2-(methylamino)butanenitrile.
What is the SMILES notation for 2-ethyl-2-(methylamino)butanenitrile?
The canonical SMILES for 2-ethyl-2-(methylamino)butanenitrile is CCC(C#N)(CC)NC.
What is the InChIKey of 2-ethyl-2-(methylamino)butanenitrile?
The InChIKey is KTYMOYWATLKXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-7(5-2,6-8)9-3/h9H,4-5H2,1-3H3.
What are the key properties of 2-ethyl-2-(methylamino)butanenitrile?
2-ethyl-2-(methylamino)butanenitrile has a molecular weight of 126.20 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylamino)butanenitrile is sourced from PubChem (CID 43115036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).