7-(3,4,5-trimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine

C14H23N3O2 — CID 61226549

IUPAC7-(3,4,5-trimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCc1nn(C2CC3(CCC2N)OCCO3)c(C)c1C
InChIInChI=1S/C14H23N3O2/c1-9-10(2)16-17(11(9)3)13-8-14(5-4-12(13)15)18-6-7-19-14/h12-13H,4-8,15H2,1-3H3
InChIKeyUJWORFFJGNODGL-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.60
Rot. Bonds1

About 7-(3,4,5-trimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine

7-(3,4,5-trimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 61226549) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 7-(3,4,5-trimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-(3,4,5-trimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID61226549
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name7-(3,4,5-trimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCc1nn(C2CC3(CCC2N)OCCO3)c(C)c1C
InChIInChI=1S/C14H23N3O2/c1-9-10(2)16-17(11(9)3)13-8-14(5-4-12(13)15)18-6-7-19-14/h12-13H,4-8,15H2,1-3H3
InChIKeyUJWORFFJGNODGL-UHFFFAOYSA-N
XLogP1.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4,5-trimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-(3,4,5-trimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 61226549) is 7-(3,4,5-trimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-(3,4,5-trimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-(3,4,5-trimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine is Cc1nn(C2CC3(CCC2N)OCCO3)c(C)c1C.
What is the InChIKey of 7-(3,4,5-trimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is UJWORFFJGNODGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9-10(2)16-17(11(9)3)13-8-14(5-4-12(13)15)18-6-7-19-14/h12-13H,4-8,15H2,1-3H3.
What are the key properties of 7-(3,4,5-trimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
7-(3,4,5-trimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 265.36 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4,5-trimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 61226549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).