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

C10H16N2O — CID 115247945

IUPAC3-[[cyclobutyl(methyl)amino]methyl]oxetane-3-carbonitrile
SMILESCN(CC1(C#N)COC1)C1CCC1
InChIInChI=1S/C10H16N2O/c1-12(9-3-2-4-9)6-10(5-11)7-13-8-10/h9H,2-4,6-8H2,1H3
InChIKeyJGOTXEOSUHNCPE-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.01
Rot. Bonds3

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

3-[[cyclobutyl(methyl)amino]methyl]oxetane-3-carbonitrile (PubChem CID 115247945) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-[[cyclobutyl(methyl)amino]methyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[[cyclobutyl(methyl)amino]methyl]oxetane-3-carbonitrile
PubChem CID115247945
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-[[cyclobutyl(methyl)amino]methyl]oxetane-3-carbonitrile
SMILESCN(CC1(C#N)COC1)C1CCC1
InChIInChI=1S/C10H16N2O/c1-12(9-3-2-4-9)6-10(5-11)7-13-8-10/h9H,2-4,6-8H2,1H3
InChIKeyJGOTXEOSUHNCPE-UHFFFAOYSA-N
XLogP1.01
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[cyclobutyl(methyl)amino]methyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[[cyclobutyl(methyl)amino]methyl]oxetane-3-carbonitrile (CID 115247945) is 3-[[cyclobutyl(methyl)amino]methyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[[cyclobutyl(methyl)amino]methyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[[cyclobutyl(methyl)amino]methyl]oxetane-3-carbonitrile is CN(CC1(C#N)COC1)C1CCC1.
What is the InChIKey of 3-[[cyclobutyl(methyl)amino]methyl]oxetane-3-carbonitrile?
The InChIKey is JGOTXEOSUHNCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-12(9-3-2-4-9)6-10(5-11)7-13-8-10/h9H,2-4,6-8H2,1H3.
What are the key properties of 3-[[cyclobutyl(methyl)amino]methyl]oxetane-3-carbonitrile?
3-[[cyclobutyl(methyl)amino]methyl]oxetane-3-carbonitrile has a molecular weight of 180.25 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclobutyl(methyl)amino]methyl]oxetane-3-carbonitrile is sourced from PubChem (CID 115247945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).