3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-amine

C11H18N4O2 — CID 103078750

IUPAC3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C11H18N4O2/c1-14-8-9(12)10(13-14)15-4-2-11(3-5-15)16-6-7-17-11/h8H,2-7,12H2,1H3
InChIKeyRVMFTDDKNXXBNT-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.35
Rot. Bonds1

About 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-amine

3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-amine (PubChem CID 103078750) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-amine
PubChem CID103078750
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C11H18N4O2/c1-14-8-9(12)10(13-14)15-4-2-11(3-5-15)16-6-7-17-11/h8H,2-7,12H2,1H3
InChIKeyRVMFTDDKNXXBNT-UHFFFAOYSA-N
XLogP0.35
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-pyrrolidin-1-ylpyrazol-4-amine;dihydrochloride
CID 102565516
1-methyl-3-(4-phenylpiperazin-1-yl)pyrazol-4-amine
CID 103077808
3-(4-ethylazepan-1-yl)-1-methylpyrazol-4-amine
CID 103078568
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridin-3-amine;ethane
CID 144642147
1-(4-amino-1-methylpyrazol-3-yl)pyrrolidin-3-ol
CID 103078450
8-(3-bromo-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 67246417
CID 70338598
CID 70338598
8-(5-fluoropyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 175651458
8-(3,5-difluoro-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 112675459
6-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5-methylpyridin-3-amine
CID 130792766
2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5-methylpyridin-4-amine
CID 131057084
6-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)pyridine-2,3-diamine
CID 130986774

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-amine?
The IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-amine (CID 103078750) is 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-amine?
The canonical SMILES for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-amine is Cn1cc(N)c(N2CCC3(CC2)OCCO3)n1.
What is the InChIKey of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-amine?
The InChIKey is RVMFTDDKNXXBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-14-8-9(12)10(13-14)15-4-2-11(3-5-15)16-6-7-17-11/h8H,2-7,12H2,1H3.
What are the key properties of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-amine?
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-amine has a molecular weight of 238.29 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-amine is sourced from PubChem (CID 103078750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).