2-methyl-2-(oxolan-2-ylmethylamino)propanenitrile

C9H16N2O — CID 60719817

IUPAC2-methyl-2-(oxolan-2-ylmethylamino)propanenitrile
SMILESCC(C)(C#N)NCC1CCCO1
InChIInChI=1S/C9H16N2O/c1-9(2,7-10)11-6-8-4-3-5-12-8/h8,11H,3-6H2,1-2H3
InChIKeyRZTISHYCHGGVKX-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.06
Rot. Bonds3

About 2-methyl-2-(oxolan-2-ylmethylamino)propanenitrile

2-methyl-2-(oxolan-2-ylmethylamino)propanenitrile (PubChem CID 60719817) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methyl-2-(oxolan-2-ylmethylamino)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(oxolan-2-ylmethylamino)propanenitrile
PubChem CID60719817
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-methyl-2-(oxolan-2-ylmethylamino)propanenitrile
SMILESCC(C)(C#N)NCC1CCCO1
InChIInChI=1S/C9H16N2O/c1-9(2,7-10)11-6-8-4-3-5-12-8/h8,11H,3-6H2,1-2H3
InChIKeyRZTISHYCHGGVKX-UHFFFAOYSA-N
XLogP1.06
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(oxolan-2-ylmethylamino)propanenitrile?
The IUPAC name of 2-methyl-2-(oxolan-2-ylmethylamino)propanenitrile (CID 60719817) is 2-methyl-2-(oxolan-2-ylmethylamino)propanenitrile.
What is the SMILES notation for 2-methyl-2-(oxolan-2-ylmethylamino)propanenitrile?
The canonical SMILES for 2-methyl-2-(oxolan-2-ylmethylamino)propanenitrile is CC(C)(C#N)NCC1CCCO1.
What is the InChIKey of 2-methyl-2-(oxolan-2-ylmethylamino)propanenitrile?
The InChIKey is RZTISHYCHGGVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-9(2,7-10)11-6-8-4-3-5-12-8/h8,11H,3-6H2,1-2H3.
What are the key properties of 2-methyl-2-(oxolan-2-ylmethylamino)propanenitrile?
2-methyl-2-(oxolan-2-ylmethylamino)propanenitrile has a molecular weight of 168.24 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxolan-2-ylmethylamino)propanenitrile is sourced from PubChem (CID 60719817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).