3-[[ethyl(methyl)amino]methyl]oxetane-3-carbonitrile

C8H14N2O — CID 115247836

IUPAC3-[[ethyl(methyl)amino]methyl]oxetane-3-carbonitrile
SMILESCCN(C)CC1(C#N)COC1
InChIInChI=1S/C8H14N2O/c1-3-10(2)5-8(4-9)6-11-7-8/h3,5-7H2,1-2H3
InChIKeyXCTAWCYBLNPAPU-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.48
Rot. Bonds3

About 3-[[ethyl(methyl)amino]methyl]oxetane-3-carbonitrile

3-[[ethyl(methyl)amino]methyl]oxetane-3-carbonitrile (PubChem CID 115247836) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-[[ethyl(methyl)amino]methyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[[ethyl(methyl)amino]methyl]oxetane-3-carbonitrile
PubChem CID115247836
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3-[[ethyl(methyl)amino]methyl]oxetane-3-carbonitrile
SMILESCCN(C)CC1(C#N)COC1
InChIInChI=1S/C8H14N2O/c1-3-10(2)5-8(4-9)6-11-7-8/h3,5-7H2,1-2H3
InChIKeyXCTAWCYBLNPAPU-UHFFFAOYSA-N
XLogP0.48
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(methyl)amino]methyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[[ethyl(methyl)amino]methyl]oxetane-3-carbonitrile (CID 115247836) is 3-[[ethyl(methyl)amino]methyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[[ethyl(methyl)amino]methyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[[ethyl(methyl)amino]methyl]oxetane-3-carbonitrile is CCN(C)CC1(C#N)COC1.
What is the InChIKey of 3-[[ethyl(methyl)amino]methyl]oxetane-3-carbonitrile?
The InChIKey is XCTAWCYBLNPAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-10(2)5-8(4-9)6-11-7-8/h3,5-7H2,1-2H3.
What are the key properties of 3-[[ethyl(methyl)amino]methyl]oxetane-3-carbonitrile?
3-[[ethyl(methyl)amino]methyl]oxetane-3-carbonitrile has a molecular weight of 154.21 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(methyl)amino]methyl]oxetane-3-carbonitrile is sourced from PubChem (CID 115247836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).