N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine

C13H21N3O2 — CID 61035182

IUPACN-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCn1cc(CNC2CCC3(CC2)OCCO3)cn1
InChIInChI=1S/C13H21N3O2/c1-16-10-11(9-15-16)8-14-12-2-4-13(5-3-12)17-6-7-18-13/h9-10,12,14H,2-8H2,1H3
InChIKeyQMGATLIQJOELDP-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.20
Rot. Bonds3

About N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine

N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 61035182) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID61035182
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCn1cc(CNC2CCC3(CC2)OCCO3)cn1
InChIInChI=1S/C13H21N3O2/c1-16-10-11(9-15-16)8-14-12-2-4-13(5-3-12)17-6-7-18-13/h9-10,12,14H,2-8H2,1H3
InChIKeyQMGATLIQJOELDP-UHFFFAOYSA-N
XLogP1.20
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 112705229
N-[(1-methylpyrazol-4-yl)methyl]oxolan-3-amine
CID 63335876
4-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylpyrazole
CID 91240817
N-[(1-methylpyrazol-4-yl)methyl]bicyclo[3.1.0]hexan-3-amine
CID 130791747
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 60958342
N-[(1-methylpyrazol-4-yl)methyl]spiro[3.5]nonan-3-amine
CID 102951612
N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]cyclopropanamine
CID 79910310
N-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-4-ylpiperidin-4-amine
CID 61351170
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 130171522
N-[(1-propylpyrazol-4-yl)methyl]oxan-4-amine
CID 115632215
N-[(5-ethylfuran-2-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 75513016
N-[(1-ethylpyrazol-4-yl)methyl]oxan-4-amine
CID 62125824

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine (CID 61035182) is N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine is Cn1cc(CNC2CCC3(CC2)OCCO3)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is QMGATLIQJOELDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-16-10-11(9-15-16)8-14-12-2-4-13(5-3-12)17-6-7-18-13/h9-10,12,14H,2-8H2,1H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine?
N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 251.33 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 61035182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).