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

C11H19N3O — CID 66129856

IUPAC2-(3-propylimidazol-4-yl)oxan-4-amine
SMILESCCCn1cncc1C1CC(N)CCO1
InChIInChI=1S/C11H19N3O/c1-2-4-14-8-13-7-10(14)11-6-9(12)3-5-15-11/h7-9,11H,2-6,12H2,1H3
InChIKeyQKCQNWSLFOWQLF-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.47
Rot. Bonds3

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

2-(3-propylimidazol-4-yl)oxan-4-amine (PubChem CID 66129856) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(3-propylimidazol-4-yl)oxan-4-amine.

Molecular Properties

Compound Name2-(3-propylimidazol-4-yl)oxan-4-amine
PubChem CID66129856
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(3-propylimidazol-4-yl)oxan-4-amine
SMILESCCCn1cncc1C1CC(N)CCO1
InChIInChI=1S/C11H19N3O/c1-2-4-14-8-13-7-10(14)11-6-9(12)3-5-15-11/h7-9,11H,2-6,12H2,1H3
InChIKeyQKCQNWSLFOWQLF-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propylimidazol-4-yl)oxan-4-amine?
The IUPAC name of 2-(3-propylimidazol-4-yl)oxan-4-amine (CID 66129856) is 2-(3-propylimidazol-4-yl)oxan-4-amine.
What is the SMILES notation for 2-(3-propylimidazol-4-yl)oxan-4-amine?
The canonical SMILES for 2-(3-propylimidazol-4-yl)oxan-4-amine is CCCn1cncc1C1CC(N)CCO1.
What is the InChIKey of 2-(3-propylimidazol-4-yl)oxan-4-amine?
The InChIKey is QKCQNWSLFOWQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-4-14-8-13-7-10(14)11-6-9(12)3-5-15-11/h7-9,11H,2-6,12H2,1H3.
What are the key properties of 2-(3-propylimidazol-4-yl)oxan-4-amine?
2-(3-propylimidazol-4-yl)oxan-4-amine has a molecular weight of 209.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propylimidazol-4-yl)oxan-4-amine is sourced from PubChem (CID 66129856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).