1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine

C11H17N3O — CID 165465012

IUPAC1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine
SMILESNc1cn(C2CCOC3(CCC3)C2)cn1
InChIInChI=1S/C11H17N3O/c12-10-7-14(8-13-10)9-2-5-15-11(6-9)3-1-4-11/h7-9H,1-6,12H2
InChIKeyDKARBSVLTCZBDY-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.74
Rot. Bonds1

About 1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine

1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine (PubChem CID 165465012) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine.

Molecular Properties

Compound Name1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine
PubChem CID165465012
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine
SMILESNc1cn(C2CCOC3(CCC3)C2)cn1
InChIInChI=1S/C11H17N3O/c12-10-7-14(8-13-10)9-2-5-15-11(6-9)3-1-4-11/h7-9H,1-6,12H2
InChIKeyDKARBSVLTCZBDY-UHFFFAOYSA-N
XLogP1.74
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine?
The IUPAC name of 1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine (CID 165465012) is 1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine.
What is the SMILES notation for 1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine?
The canonical SMILES for 1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine is Nc1cn(C2CCOC3(CCC3)C2)cn1.
What is the InChIKey of 1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine?
The InChIKey is DKARBSVLTCZBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-10-7-14(8-13-10)9-2-5-15-11(6-9)3-1-4-11/h7-9H,1-6,12H2.
What are the key properties of 1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine?
1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine has a molecular weight of 207.28 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine is sourced from PubChem (CID 165465012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).