3-[[2-cyclobutylethyl(methyl)amino]methyl]oxetane-3-carbonitrile

C12H20N2O — CID 115248232

IUPAC3-[[2-cyclobutylethyl(methyl)amino]methyl]oxetane-3-carbonitrile
SMILESCN(CCC1CCC1)CC1(C#N)COC1
InChIInChI=1S/C12H20N2O/c1-14(6-5-11-3-2-4-11)8-12(7-13)9-15-10-12/h11H,2-6,8-10H2,1H3
InChIKeyQVIWMPAJSBTPLT-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.65
Rot. Bonds5

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

3-[[2-cyclobutylethyl(methyl)amino]methyl]oxetane-3-carbonitrile (PubChem CID 115248232) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-[[2-cyclobutylethyl(methyl)amino]methyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[[2-cyclobutylethyl(methyl)amino]methyl]oxetane-3-carbonitrile
PubChem CID115248232
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-[[2-cyclobutylethyl(methyl)amino]methyl]oxetane-3-carbonitrile
SMILESCN(CCC1CCC1)CC1(C#N)COC1
InChIInChI=1S/C12H20N2O/c1-14(6-5-11-3-2-4-11)8-12(7-13)9-15-10-12/h11H,2-6,8-10H2,1H3
InChIKeyQVIWMPAJSBTPLT-UHFFFAOYSA-N
XLogP1.65
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[Methyl(3-methylbutyl)amino]methyl]oxetane-3-carbonitrile
CID 115248051
3-[[Cyclopentylmethyl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115248109
3-[[Cyclohexylmethyl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115248110
3-[[Methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carbonitrile
CID 115248115
3-[[Cyclobutylmethyl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115248118
3-[(2-Cyclobutylethylamino)methyl]oxetane-3-carbonitrile
CID 115248186
3-[[Methyl(pentyl)amino]methyl]oxetane-3-carbonitrile
CID 115248188
3-[[Methyl(4-methylpentyl)amino]methyl]oxetane-3-carbonitrile
CID 115248189
3-[[2-Cyclopentylethyl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115248225
3-[[2-Cyclohexylethyl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115248226
3-[[Methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]oxetane-3-carbonitrile
CID 115248229
3-[[Methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]methyl]oxetane-3-carbonitrile
CID 115248230

Frequently Asked Questions

What is the IUPAC name of 3-[[2-cyclobutylethyl(methyl)amino]methyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[[2-cyclobutylethyl(methyl)amino]methyl]oxetane-3-carbonitrile (CID 115248232) is 3-[[2-cyclobutylethyl(methyl)amino]methyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[[2-cyclobutylethyl(methyl)amino]methyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[[2-cyclobutylethyl(methyl)amino]methyl]oxetane-3-carbonitrile is CN(CCC1CCC1)CC1(C#N)COC1.
What is the InChIKey of 3-[[2-cyclobutylethyl(methyl)amino]methyl]oxetane-3-carbonitrile?
The InChIKey is QVIWMPAJSBTPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-14(6-5-11-3-2-4-11)8-12(7-13)9-15-10-12/h11H,2-6,8-10H2,1H3.
What are the key properties of 3-[[2-cyclobutylethyl(methyl)amino]methyl]oxetane-3-carbonitrile?
3-[[2-cyclobutylethyl(methyl)amino]methyl]oxetane-3-carbonitrile has a molecular weight of 208.30 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-cyclobutylethyl(methyl)amino]methyl]oxetane-3-carbonitrile is sourced from PubChem (CID 115248232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).