3-(2-ethylimidazol-1-yl)oxan-4-amine

C10H17N3O — CID 61402240

IUPAC3-(2-ethylimidazol-1-yl)oxan-4-amine
SMILESCCc1nccn1C1COCCC1N
InChIInChI=1S/C10H17N3O/c1-2-10-12-4-5-13(10)9-7-14-6-3-8(9)11/h4-5,8-9H,2-3,6-7,11H2,1H3
InChIKeyODTJXERFJXEYEH-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.73
Rot. Bonds2

About 3-(2-ethylimidazol-1-yl)oxan-4-amine

3-(2-ethylimidazol-1-yl)oxan-4-amine (PubChem CID 61402240) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)oxan-4-amine.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)oxan-4-amine
PubChem CID61402240
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-(2-ethylimidazol-1-yl)oxan-4-amine
SMILESCCc1nccn1C1COCCC1N
InChIInChI=1S/C10H17N3O/c1-2-10-12-4-5-13(10)9-7-14-6-3-8(9)11/h4-5,8-9H,2-3,6-7,11H2,1H3
InChIKeyODTJXERFJXEYEH-UHFFFAOYSA-N
XLogP0.73
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)oxan-4-amine?
The IUPAC name of 3-(2-ethylimidazol-1-yl)oxan-4-amine (CID 61402240) is 3-(2-ethylimidazol-1-yl)oxan-4-amine.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)oxan-4-amine?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)oxan-4-amine is CCc1nccn1C1COCCC1N.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)oxan-4-amine?
The InChIKey is ODTJXERFJXEYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-10-12-4-5-13(10)9-7-14-6-3-8(9)11/h4-5,8-9H,2-3,6-7,11H2,1H3.
What are the key properties of 3-(2-ethylimidazol-1-yl)oxan-4-amine?
3-(2-ethylimidazol-1-yl)oxan-4-amine has a molecular weight of 195.27 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)oxan-4-amine is sourced from PubChem (CID 61402240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).