1-[3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]ethanamine

C11H19N3O — CID 114705093

IUPAC1-[3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]ethanamine
SMILESCC(N)c1cncn1CCC1CCCO1
InChIInChI=1S/C11H19N3O/c1-9(12)11-7-13-8-14(11)5-4-10-3-2-6-15-10/h7-10H,2-6,12H2,1H3
InChIKeyIFNOUJVXGFDSBU-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.47
Rot. Bonds4

About 1-[3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]ethanamine

1-[3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]ethanamine (PubChem CID 114705093) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]ethanamine
PubChem CID114705093
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-[3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]ethanamine
SMILESCC(N)c1cncn1CCC1CCCO1
InChIInChI=1S/C11H19N3O/c1-9(12)11-7-13-8-14(11)5-4-10-3-2-6-15-10/h7-10H,2-6,12H2,1H3
InChIKeyIFNOUJVXGFDSBU-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]ethanamine?
The IUPAC name of 1-[3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]ethanamine (CID 114705093) is 1-[3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for 1-[3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]ethanamine?
The canonical SMILES for 1-[3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]ethanamine is CC(N)c1cncn1CCC1CCCO1.
What is the InChIKey of 1-[3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]ethanamine?
The InChIKey is IFNOUJVXGFDSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(12)11-7-13-8-14(11)5-4-10-3-2-6-15-10/h7-10H,2-6,12H2,1H3.
What are the key properties of 1-[3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]ethanamine?
1-[3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]ethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 114705093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).