2-ethyl-2-(oxolan-2-ylmethylamino)butanenitrile

C11H20N2O — CID 61005807

IUPAC2-ethyl-2-(oxolan-2-ylmethylamino)butanenitrile
SMILESCCC(C#N)(CC)NCC1CCCO1
InChIInChI=1S/C11H20N2O/c1-3-11(4-2,9-12)13-8-10-6-5-7-14-10/h10,13H,3-8H2,1-2H3
InChIKeyYROKZIPMRXBQIH-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.84
Rot. Bonds5

About 2-ethyl-2-(oxolan-2-ylmethylamino)butanenitrile

2-ethyl-2-(oxolan-2-ylmethylamino)butanenitrile (PubChem CID 61005807) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-ethyl-2-(oxolan-2-ylmethylamino)butanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(oxolan-2-ylmethylamino)butanenitrile
PubChem CID61005807
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-ethyl-2-(oxolan-2-ylmethylamino)butanenitrile
SMILESCCC(C#N)(CC)NCC1CCCO1
InChIInChI=1S/C11H20N2O/c1-3-11(4-2,9-12)13-8-10-6-5-7-14-10/h10,13H,3-8H2,1-2H3
InChIKeyYROKZIPMRXBQIH-UHFFFAOYSA-N
XLogP1.84
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(oxolan-2-ylmethylamino)butanenitrile?
The IUPAC name of 2-ethyl-2-(oxolan-2-ylmethylamino)butanenitrile (CID 61005807) is 2-ethyl-2-(oxolan-2-ylmethylamino)butanenitrile.
What is the SMILES notation for 2-ethyl-2-(oxolan-2-ylmethylamino)butanenitrile?
The canonical SMILES for 2-ethyl-2-(oxolan-2-ylmethylamino)butanenitrile is CCC(C#N)(CC)NCC1CCCO1.
What is the InChIKey of 2-ethyl-2-(oxolan-2-ylmethylamino)butanenitrile?
The InChIKey is YROKZIPMRXBQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-11(4-2,9-12)13-8-10-6-5-7-14-10/h10,13H,3-8H2,1-2H3.
What are the key properties of 2-ethyl-2-(oxolan-2-ylmethylamino)butanenitrile?
2-ethyl-2-(oxolan-2-ylmethylamino)butanenitrile has a molecular weight of 196.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(oxolan-2-ylmethylamino)butanenitrile is sourced from PubChem (CID 61005807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).