N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclobutylethanamine

C11H22N2O — CID 115249600

IUPACN-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclobutylethanamine
SMILESNCC1(CNCCC2CCC2)COC1
InChIInChI=1S/C11H22N2O/c12-6-11(8-14-9-11)7-13-5-4-10-2-1-3-10/h10,13H,1-9,12H2
InChIKeyKIELIJDOKQIEHX-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.74
Rot. Bonds6

About N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclobutylethanamine

N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclobutylethanamine (PubChem CID 115249600) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclobutylethanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclobutylethanamine
PubChem CID115249600
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclobutylethanamine
SMILESNCC1(CNCCC2CCC2)COC1
InChIInChI=1S/C11H22N2O/c12-6-11(8-14-9-11)7-13-5-4-10-2-1-3-10/h10,13H,1-9,12H2
InChIKeyKIELIJDOKQIEHX-UHFFFAOYSA-N
XLogP0.74
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclobutylethanamine?
The IUPAC name of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclobutylethanamine (CID 115249600) is N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclobutylethanamine.
What is the SMILES notation for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclobutylethanamine?
The canonical SMILES for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclobutylethanamine is NCC1(CNCCC2CCC2)COC1.
What is the InChIKey of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclobutylethanamine?
The InChIKey is KIELIJDOKQIEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c12-6-11(8-14-9-11)7-13-5-4-10-2-1-3-10/h10,13H,1-9,12H2.
What are the key properties of N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclobutylethanamine?
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclobutylethanamine has a molecular weight of 198.31 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclobutylethanamine is sourced from PubChem (CID 115249600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).