[1-(oxan-4-yl)imidazol-4-yl]methanamine

C9H15N3O — CID 130481927

IUPAC[1-(oxan-4-yl)imidazol-4-yl]methanamine
SMILESNCc1cn(C2CCOCC2)cn1
InChIInChI=1S/C9H15N3O/c10-5-8-6-12(7-11-8)9-1-3-13-4-2-9/h6-7,9H,1-5,10H2
InChIKeyYUUNELDIUOMOEW-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.69
Rot. Bonds2

About [1-(oxan-4-yl)imidazol-4-yl]methanamine

[1-(oxan-4-yl)imidazol-4-yl]methanamine (PubChem CID 130481927) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is [1-(oxan-4-yl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(oxan-4-yl)imidazol-4-yl]methanamine
PubChem CID130481927
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name[1-(oxan-4-yl)imidazol-4-yl]methanamine
SMILESNCc1cn(C2CCOCC2)cn1
InChIInChI=1S/C9H15N3O/c10-5-8-6-12(7-11-8)9-1-3-13-4-2-9/h6-7,9H,1-5,10H2
InChIKeyYUUNELDIUOMOEW-UHFFFAOYSA-N
XLogP0.69
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(oxan-4-yl)imidazol-4-yl]methanamine 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 [1-(oxan-4-yl)imidazol-4-yl]methanamine?
The IUPAC name of [1-(oxan-4-yl)imidazol-4-yl]methanamine (CID 130481927) is [1-(oxan-4-yl)imidazol-4-yl]methanamine.
What is the SMILES notation for [1-(oxan-4-yl)imidazol-4-yl]methanamine?
The canonical SMILES for [1-(oxan-4-yl)imidazol-4-yl]methanamine is NCc1cn(C2CCOCC2)cn1.
What is the InChIKey of [1-(oxan-4-yl)imidazol-4-yl]methanamine?
The InChIKey is YUUNELDIUOMOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-5-8-6-12(7-11-8)9-1-3-13-4-2-9/h6-7,9H,1-5,10H2.
What are the key properties of [1-(oxan-4-yl)imidazol-4-yl]methanamine?
[1-(oxan-4-yl)imidazol-4-yl]methanamine has a molecular weight of 181.24 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxan-4-yl)imidazol-4-yl]methanamine is sourced from PubChem (CID 130481927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).