(1-methylpyrazol-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine

C13H21N3O — CID 79911247

IUPAC(1-methylpyrazol-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCn1ccc(C(N)C2CCOC3(CCC3)C2)n1
InChIInChI=1S/C13H21N3O/c1-16-7-3-11(15-16)12(14)10-4-8-17-13(9-10)5-2-6-13/h3,7,10,12H,2,4-6,8-9,14H2,1H3
InChIKeyMGSHZZHBXLSKAW-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.77
Rot. Bonds2

About (1-methylpyrazol-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine

(1-methylpyrazol-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine (PubChem CID 79911247) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
PubChem CID79911247
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(1-methylpyrazol-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCn1ccc(C(N)C2CCOC3(CCC3)C2)n1
InChIInChI=1S/C13H21N3O/c1-16-7-3-11(15-16)12(14)10-4-8-17-13(9-10)5-2-6-13/h3,7,10,12H,2,4-6,8-9,14H2,1H3
InChIKeyMGSHZZHBXLSKAW-UHFFFAOYSA-N
XLogP1.77
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-2-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79914757
(3-ethyl-1-methylpyrazol-4-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 102812619
(1-methylpyrazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79911940
(6-methyl-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79915425
5-oxaspiro[3.5]nonan-8-yl(pyridin-4-yl)methanamine
CID 79914138
(2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79915466
6-oxaspiro[4.5]decan-9-yl(pyrazin-2-yl)methanamine
CID 79914615
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 81492336
(1,5-dimethylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105170198
2,3-dihydro-1,4-benzodioxin-6-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010101
(3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79914518
(2,4-difluoro-5-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010015

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The IUPAC name of (1-methylpyrazol-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine (CID 79911247) is (1-methylpyrazol-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine.
What is the SMILES notation for (1-methylpyrazol-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The canonical SMILES for (1-methylpyrazol-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine is Cn1ccc(C(N)C2CCOC3(CCC3)C2)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The InChIKey is MGSHZZHBXLSKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-16-7-3-11(15-16)12(14)10-4-8-17-13(9-10)5-2-6-13/h3,7,10,12H,2,4-6,8-9,14H2,1H3.
What are the key properties of (1-methylpyrazol-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
(1-methylpyrazol-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine has a molecular weight of 235.33 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine is sourced from PubChem (CID 79911247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).