[3-(1H-imidazol-5-yl)oxetan-3-yl]methanamine

C7H11N3O — CID 82416863

IUPAC[3-(1H-imidazol-5-yl)oxetan-3-yl]methanamine
SMILESNCC1(c2cnc[nH]2)COC1
InChIInChI=1S/C7H11N3O/c8-2-7(3-11-4-7)6-1-9-5-10-6/h1,5H,2-4,8H2,(H,9,10)
InChIKeyXYDCGXILEKFZPZ-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.36
Rot. Bonds2

About [3-(1H-imidazol-5-yl)oxetan-3-yl]methanamine

[3-(1H-imidazol-5-yl)oxetan-3-yl]methanamine (PubChem CID 82416863) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is [3-(1H-imidazol-5-yl)oxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(1H-imidazol-5-yl)oxetan-3-yl]methanamine
PubChem CID82416863
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name[3-(1H-imidazol-5-yl)oxetan-3-yl]methanamine
SMILESNCC1(c2cnc[nH]2)COC1
InChIInChI=1S/C7H11N3O/c8-2-7(3-11-4-7)6-1-9-5-10-6/h1,5H,2-4,8H2,(H,9,10)
InChIKeyXYDCGXILEKFZPZ-UHFFFAOYSA-N
XLogP-0.36
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(1H-imidazol-5-yl)oxetan-3-yl]methanamine?
The IUPAC name of [3-(1H-imidazol-5-yl)oxetan-3-yl]methanamine (CID 82416863) is [3-(1H-imidazol-5-yl)oxetan-3-yl]methanamine.
What is the SMILES notation for [3-(1H-imidazol-5-yl)oxetan-3-yl]methanamine?
The canonical SMILES for [3-(1H-imidazol-5-yl)oxetan-3-yl]methanamine is NCC1(c2cnc[nH]2)COC1.
What is the InChIKey of [3-(1H-imidazol-5-yl)oxetan-3-yl]methanamine?
The InChIKey is XYDCGXILEKFZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c8-2-7(3-11-4-7)6-1-9-5-10-6/h1,5H,2-4,8H2,(H,9,10).
What are the key properties of [3-(1H-imidazol-5-yl)oxetan-3-yl]methanamine?
[3-(1H-imidazol-5-yl)oxetan-3-yl]methanamine has a molecular weight of 153.19 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-imidazol-5-yl)oxetan-3-yl]methanamine is sourced from PubChem (CID 82416863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).