9-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane

C14H23N3O2 — CID 84591875

IUPAC9-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
SMILESCC(C)n1ccnc1CN1CCCC2(C1)OCCO2
InChIInChI=1S/C14H23N3O2/c1-12(2)17-7-5-15-13(17)10-16-6-3-4-14(11-16)18-8-9-19-14/h5,7,12H,3-4,6,8-11H2,1-2H3
InChIKeyHHKFUPHVGJIKCO-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.80
Rot. Bonds3

About 9-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane

9-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane (PubChem CID 84591875) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 9-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
PubChem CID84591875
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name9-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
SMILESCC(C)n1ccnc1CN1CCCC2(C1)OCCO2
InChIInChI=1S/C14H23N3O2/c1-12(2)17-7-5-15-13(17)10-16-6-3-4-14(11-16)18-8-9-19-14/h5,7,12H,3-4,6,8-11H2,1-2H3
InChIKeyHHKFUPHVGJIKCO-UHFFFAOYSA-N
XLogP1.80
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane (CID 84591875) is 9-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane is CC(C)n1ccnc1CN1CCCC2(C1)OCCO2.
What is the InChIKey of 9-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane?
The InChIKey is HHKFUPHVGJIKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-12(2)17-7-5-15-13(17)10-16-6-3-4-14(11-16)18-8-9-19-14/h5,7,12H,3-4,6,8-11H2,1-2H3.
What are the key properties of 9-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane?
9-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane has a molecular weight of 265.36 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 84591875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).