3-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile

C13H22N2O — CID 115248265

IUPAC3-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile
SMILESCC(C)(CNCC1(C#N)COC1)C1CCC1
InChIInChI=1S/C13H22N2O/c1-12(2,11-4-3-5-11)7-15-8-13(6-14)9-16-10-13/h11,15H,3-5,7-10H2,1-2H3
InChIKeyCZDWPMRAFRAWAI-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.94
Rot. Bonds5

About 3-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile

3-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile (PubChem CID 115248265) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile
PubChem CID115248265
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile
SMILESCC(C)(CNCC1(C#N)COC1)C1CCC1
InChIInChI=1S/C13H22N2O/c1-12(2,11-4-3-5-11)7-15-8-13(6-14)9-16-10-13/h11,15H,3-5,7-10H2,1-2H3
InChIKeyCZDWPMRAFRAWAI-UHFFFAOYSA-N
XLogP1.94
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile (CID 115248265) is 3-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile is CC(C)(CNCC1(C#N)COC1)C1CCC1.
What is the InChIKey of 3-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile?
The InChIKey is CZDWPMRAFRAWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-12(2,11-4-3-5-11)7-15-8-13(6-14)9-16-10-13/h11,15H,3-5,7-10H2,1-2H3.
What are the key properties of 3-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile?
3-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile has a molecular weight of 222.33 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile is sourced from PubChem (CID 115248265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).