2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetonitrile

C11H20N2O — CID 114621271

IUPAC2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetonitrile
SMILESCN(CC#N)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C11H20N2O/c1-10(2)8-9(11(3,4)14-10)13(5)7-6-12/h9H,7-8H2,1-5H3
InChIKeyTURDLMRURLMZMD-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.79
Rot. Bonds2

About 2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetonitrile

2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetonitrile (PubChem CID 114621271) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetonitrile.

Molecular Properties

Compound Name2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetonitrile
PubChem CID114621271
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetonitrile
SMILESCN(CC#N)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C11H20N2O/c1-10(2)8-9(11(3,4)14-10)13(5)7-6-12/h9H,7-8H2,1-5H3
InChIKeyTURDLMRURLMZMD-UHFFFAOYSA-N
XLogP1.79
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetonitrile?
The IUPAC name of 2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetonitrile (CID 114621271) is 2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetonitrile.
What is the SMILES notation for 2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetonitrile?
The canonical SMILES for 2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetonitrile is CN(CC#N)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetonitrile?
The InChIKey is TURDLMRURLMZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10(2)8-9(11(3,4)14-10)13(5)7-6-12/h9H,7-8H2,1-5H3.
What are the key properties of 2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetonitrile?
2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetonitrile has a molecular weight of 196.29 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetonitrile is sourced from PubChem (CID 114621271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).