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

C13H21N3O2 — CID 16782244

IUPAC7-(3,5-dimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCc1cc(C)n(C2CC3(CCC2N)OCCO3)n1
InChIInChI=1S/C13H21N3O2/c1-9-7-10(2)16(15-9)12-8-13(4-3-11(12)14)17-5-6-18-13/h7,11-12H,3-6,8,14H2,1-2H3
InChIKeyUXNFAWOLZQIWMJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.30
Rot. Bonds1

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

7-(3,5-dimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 16782244) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 7-(3,5-dimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-(3,5-dimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID16782244
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name7-(3,5-dimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCc1cc(C)n(C2CC3(CCC2N)OCCO3)n1
InChIInChI=1S/C13H21N3O2/c1-9-7-10(2)16(15-9)12-8-13(4-3-11(12)14)17-5-6-18-13/h7,11-12H,3-6,8,14H2,1-2H3
InChIKeyUXNFAWOLZQIWMJ-UHFFFAOYSA-N
XLogP1.30
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-(3,5-dimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 16782244) is 7-(3,5-dimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-(3,5-dimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-(3,5-dimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine is Cc1cc(C)n(C2CC3(CCC2N)OCCO3)n1.
What is the InChIKey of 7-(3,5-dimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is UXNFAWOLZQIWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-7-10(2)16(15-9)12-8-13(4-3-11(12)14)17-5-6-18-13/h7,11-12H,3-6,8,14H2,1-2H3.
What are the key properties of 7-(3,5-dimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
7-(3,5-dimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 251.33 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethylpyrazol-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 16782244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).