[2-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methanamine

C11H19N3O — CID 79368224

IUPAC[2-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methanamine
SMILESCC(C)n1cncc1C1OCCC1CN
InChIInChI=1S/C11H19N3O/c1-8(2)14-7-13-6-10(14)11-9(5-12)3-4-15-11/h6-9,11H,3-5,12H2,1-2H3
InChIKeyMBSATRCISMSBID-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.50
Rot. Bonds3

About [2-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methanamine

[2-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methanamine (PubChem CID 79368224) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is [2-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[2-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methanamine
PubChem CID79368224
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name[2-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methanamine
SMILESCC(C)n1cncc1C1OCCC1CN
InChIInChI=1S/C11H19N3O/c1-8(2)14-7-13-6-10(14)11-9(5-12)3-4-15-11/h6-9,11H,3-5,12H2,1-2H3
InChIKeyMBSATRCISMSBID-UHFFFAOYSA-N
XLogP1.50
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(3-propan-2-ylimidazol-4-yl)oxolan-3-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 [2-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methanamine?
The IUPAC name of [2-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methanamine (CID 79368224) is [2-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methanamine.
What is the SMILES notation for [2-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methanamine?
The canonical SMILES for [2-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methanamine is CC(C)n1cncc1C1OCCC1CN.
What is the InChIKey of [2-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methanamine?
The InChIKey is MBSATRCISMSBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)14-7-13-6-10(14)11-9(5-12)3-4-15-11/h6-9,11H,3-5,12H2,1-2H3.
What are the key properties of [2-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methanamine?
[2-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methanamine has a molecular weight of 209.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methanamine is sourced from PubChem (CID 79368224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).