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

C10H17N3O — CID 66135590

IUPAC2-(3-ethylimidazol-4-yl)oxan-4-amine
SMILESCCn1cncc1C1CC(N)CCO1
InChIInChI=1S/C10H17N3O/c1-2-13-7-12-6-9(13)10-5-8(11)3-4-14-10/h6-8,10H,2-5,11H2,1H3
InChIKeySIQJIKYIDWKNSJ-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.08
Rot. Bonds2

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

2-(3-ethylimidazol-4-yl)oxan-4-amine (PubChem CID 66135590) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(3-ethylimidazol-4-yl)oxan-4-amine.

Molecular Properties

Compound Name2-(3-ethylimidazol-4-yl)oxan-4-amine
PubChem CID66135590
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-(3-ethylimidazol-4-yl)oxan-4-amine
SMILESCCn1cncc1C1CC(N)CCO1
InChIInChI=1S/C10H17N3O/c1-2-13-7-12-6-9(13)10-5-8(11)3-4-14-10/h6-8,10H,2-5,11H2,1H3
InChIKeySIQJIKYIDWKNSJ-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylimidazol-4-yl)oxan-4-amine?
The IUPAC name of 2-(3-ethylimidazol-4-yl)oxan-4-amine (CID 66135590) is 2-(3-ethylimidazol-4-yl)oxan-4-amine.
What is the SMILES notation for 2-(3-ethylimidazol-4-yl)oxan-4-amine?
The canonical SMILES for 2-(3-ethylimidazol-4-yl)oxan-4-amine is CCn1cncc1C1CC(N)CCO1.
What is the InChIKey of 2-(3-ethylimidazol-4-yl)oxan-4-amine?
The InChIKey is SIQJIKYIDWKNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-13-7-12-6-9(13)10-5-8(11)3-4-14-10/h6-8,10H,2-5,11H2,1H3.
What are the key properties of 2-(3-ethylimidazol-4-yl)oxan-4-amine?
2-(3-ethylimidazol-4-yl)oxan-4-amine has a molecular weight of 195.27 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylimidazol-4-yl)oxan-4-amine is sourced from PubChem (CID 66135590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).