3-[(cyclobutylmethylamino)methyl]oxetane-3-carbonitrile

C10H16N2O — CID 115248048

IUPAC3-[(cyclobutylmethylamino)methyl]oxetane-3-carbonitrile
SMILESN#CC1(CNCC2CCC2)COC1
InChIInChI=1S/C10H16N2O/c11-5-10(7-13-8-10)6-12-4-9-2-1-3-9/h9,12H,1-4,6-8H2
InChIKeySLWPKNFBHPVHCJ-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.92
Rot. Bonds4

About 3-[(cyclobutylmethylamino)methyl]oxetane-3-carbonitrile

3-[(cyclobutylmethylamino)methyl]oxetane-3-carbonitrile (PubChem CID 115248048) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-[(cyclobutylmethylamino)methyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[(cyclobutylmethylamino)methyl]oxetane-3-carbonitrile
PubChem CID115248048
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-[(cyclobutylmethylamino)methyl]oxetane-3-carbonitrile
SMILESN#CC1(CNCC2CCC2)COC1
InChIInChI=1S/C10H16N2O/c11-5-10(7-13-8-10)6-12-4-9-2-1-3-9/h9,12H,1-4,6-8H2
InChIKeySLWPKNFBHPVHCJ-UHFFFAOYSA-N
XLogP0.92
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(cyclobutylmethylamino)methyl]oxetane-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclobutylmethylamino)methyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[(cyclobutylmethylamino)methyl]oxetane-3-carbonitrile (CID 115248048) is 3-[(cyclobutylmethylamino)methyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[(cyclobutylmethylamino)methyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[(cyclobutylmethylamino)methyl]oxetane-3-carbonitrile is N#CC1(CNCC2CCC2)COC1.
What is the InChIKey of 3-[(cyclobutylmethylamino)methyl]oxetane-3-carbonitrile?
The InChIKey is SLWPKNFBHPVHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c11-5-10(7-13-8-10)6-12-4-9-2-1-3-9/h9,12H,1-4,6-8H2.
What are the key properties of 3-[(cyclobutylmethylamino)methyl]oxetane-3-carbonitrile?
3-[(cyclobutylmethylamino)methyl]oxetane-3-carbonitrile has a molecular weight of 180.25 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclobutylmethylamino)methyl]oxetane-3-carbonitrile is sourced from PubChem (CID 115248048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).