[3-(oxetan-3-yl)imidazol-4-yl]methanamine

C7H11N3O — CID 84731290

IUPAC[3-(oxetan-3-yl)imidazol-4-yl]methanamine
SMILESNCc1cncn1C1COC1
InChIInChI=1S/C7H11N3O/c8-1-6-2-9-5-10(6)7-3-11-4-7/h2,5,7H,1,3-4,8H2
InChIKeyBCRAMPVWGADEOU-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.09
Rot. Bonds2

About [3-(oxetan-3-yl)imidazol-4-yl]methanamine

[3-(oxetan-3-yl)imidazol-4-yl]methanamine (PubChem CID 84731290) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is [3-(oxetan-3-yl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(oxetan-3-yl)imidazol-4-yl]methanamine
PubChem CID84731290
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name[3-(oxetan-3-yl)imidazol-4-yl]methanamine
SMILESNCc1cncn1C1COC1
InChIInChI=1S/C7H11N3O/c8-1-6-2-9-5-10(6)7-3-11-4-7/h2,5,7H,1,3-4,8H2
InChIKeyBCRAMPVWGADEOU-UHFFFAOYSA-N
XLogP-0.09
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(oxetan-3-yl)imidazol-4-yl]methanamine?
The IUPAC name of [3-(oxetan-3-yl)imidazol-4-yl]methanamine (CID 84731290) is [3-(oxetan-3-yl)imidazol-4-yl]methanamine.
What is the SMILES notation for [3-(oxetan-3-yl)imidazol-4-yl]methanamine?
The canonical SMILES for [3-(oxetan-3-yl)imidazol-4-yl]methanamine is NCc1cncn1C1COC1.
What is the InChIKey of [3-(oxetan-3-yl)imidazol-4-yl]methanamine?
The InChIKey is BCRAMPVWGADEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c8-1-6-2-9-5-10(6)7-3-11-4-7/h2,5,7H,1,3-4,8H2.
What are the key properties of [3-(oxetan-3-yl)imidazol-4-yl]methanamine?
[3-(oxetan-3-yl)imidazol-4-yl]methanamine has a molecular weight of 153.18 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxetan-3-yl)imidazol-4-yl]methanamine is sourced from PubChem (CID 84731290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).