3-[(2-cyclobutylethylamino)methyl]oxetane-3-carbonitrile

C11H18N2O — CID 115248186

IUPAC3-[(2-cyclobutylethylamino)methyl]oxetane-3-carbonitrile
SMILESN#CC1(CNCCC2CCC2)COC1
InChIInChI=1S/C11H18N2O/c12-6-11(8-14-9-11)7-13-5-4-10-2-1-3-10/h10,13H,1-5,7-9H2
InChIKeyBZIWVPZHZPJDFU-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.31
Rot. Bonds5

About 3-[(2-cyclobutylethylamino)methyl]oxetane-3-carbonitrile

3-[(2-cyclobutylethylamino)methyl]oxetane-3-carbonitrile (PubChem CID 115248186) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-[(2-cyclobutylethylamino)methyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[(2-cyclobutylethylamino)methyl]oxetane-3-carbonitrile
PubChem CID115248186
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-[(2-cyclobutylethylamino)methyl]oxetane-3-carbonitrile
SMILESN#CC1(CNCCC2CCC2)COC1
InChIInChI=1S/C11H18N2O/c12-6-11(8-14-9-11)7-13-5-4-10-2-1-3-10/h10,13H,1-5,7-9H2
InChIKeyBZIWVPZHZPJDFU-UHFFFAOYSA-N
XLogP1.31
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclobutyl-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 64373002
3-[(Cyclopentylmethylamino)methyl]oxetane-3-carbonitrile
CID 115248038
3-[(Cyclohexylmethylamino)methyl]oxetane-3-carbonitrile
CID 115248039
3-[(Cyclobutylmethylamino)methyl]oxetane-3-carbonitrile
CID 115248048
3-[(4-Methylpentylamino)methyl]oxetane-3-carbonitrile
CID 115248120
3-[(2-Cyclopentylethylamino)methyl]oxetane-3-carbonitrile
CID 115248177
3-[(2-Cyclohexylethylamino)methyl]oxetane-3-carbonitrile
CID 115248178
3-[[2-(1-Methylpiperidin-3-yl)ethylamino]methyl]oxetane-3-carbonitrile
CID 115248184
3-[[2-Cyclobutylethyl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115248232
3-[[(2-Cyclobutyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile
CID 115248265
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-cyclobutylmethanamine
CID 115249475
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclobutylethanamine
CID 115249600

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclobutylethylamino)methyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[(2-cyclobutylethylamino)methyl]oxetane-3-carbonitrile (CID 115248186) is 3-[(2-cyclobutylethylamino)methyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[(2-cyclobutylethylamino)methyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[(2-cyclobutylethylamino)methyl]oxetane-3-carbonitrile is N#CC1(CNCCC2CCC2)COC1.
What is the InChIKey of 3-[(2-cyclobutylethylamino)methyl]oxetane-3-carbonitrile?
The InChIKey is BZIWVPZHZPJDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c12-6-11(8-14-9-11)7-13-5-4-10-2-1-3-10/h10,13H,1-5,7-9H2.
What are the key properties of 3-[(2-cyclobutylethylamino)methyl]oxetane-3-carbonitrile?
3-[(2-cyclobutylethylamino)methyl]oxetane-3-carbonitrile has a molecular weight of 194.28 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclobutylethylamino)methyl]oxetane-3-carbonitrile is sourced from PubChem (CID 115248186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).