2-[3-(oxan-2-ylmethyl)imidazol-4-yl]ethanamine

C11H19N3O — CID 114718438

IUPAC2-[3-(oxan-2-ylmethyl)imidazol-4-yl]ethanamine
SMILESNCCc1cncn1CC1CCCCO1
InChIInChI=1S/C11H19N3O/c12-5-4-10-7-13-9-14(10)8-11-3-1-2-6-15-11/h7,9,11H,1-6,8,12H2
InChIKeyOLXOLBWSSYEECE-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.95
Rot. Bonds4

About 2-[3-(oxan-2-ylmethyl)imidazol-4-yl]ethanamine

2-[3-(oxan-2-ylmethyl)imidazol-4-yl]ethanamine (PubChem CID 114718438) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[3-(oxan-2-ylmethyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(oxan-2-ylmethyl)imidazol-4-yl]ethanamine
PubChem CID114718438
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[3-(oxan-2-ylmethyl)imidazol-4-yl]ethanamine
SMILESNCCc1cncn1CC1CCCCO1
InChIInChI=1S/C11H19N3O/c12-5-4-10-7-13-9-14(10)8-11-3-1-2-6-15-11/h7,9,11H,1-6,8,12H2
InChIKeyOLXOLBWSSYEECE-UHFFFAOYSA-N
XLogP0.95
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(oxan-2-ylmethyl)imidazol-4-yl]ethanamine 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-(oxan-2-ylmethyl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[3-(oxan-2-ylmethyl)imidazol-4-yl]ethanamine (CID 114718438) is 2-[3-(oxan-2-ylmethyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-(oxan-2-ylmethyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-(oxan-2-ylmethyl)imidazol-4-yl]ethanamine is NCCc1cncn1CC1CCCCO1.
What is the InChIKey of 2-[3-(oxan-2-ylmethyl)imidazol-4-yl]ethanamine?
The InChIKey is OLXOLBWSSYEECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c12-5-4-10-7-13-9-14(10)8-11-3-1-2-6-15-11/h7,9,11H,1-6,8,12H2.
What are the key properties of 2-[3-(oxan-2-ylmethyl)imidazol-4-yl]ethanamine?
2-[3-(oxan-2-ylmethyl)imidazol-4-yl]ethanamine has a molecular weight of 209.29 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxan-2-ylmethyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 114718438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).