(1,5-dimethylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine

C15H25N3O — CID 105170198

IUPAC(1,5-dimethylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
SMILESCc1c(C(N)C2CCOC3(CCCC3)C2)cnn1C
InChIInChI=1S/C15H25N3O/c1-11-13(10-17-18(11)2)14(16)12-5-8-19-15(9-12)6-3-4-7-15/h10,12,14H,3-9,16H2,1-2H3
InChIKeyBLQWGCOWMUMNAG-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.47
Rot. Bonds2

About (1,5-dimethylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine

(1,5-dimethylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine (PubChem CID 105170198) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
PubChem CID105170198
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(1,5-dimethylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
SMILESCc1c(C(N)C2CCOC3(CCCC3)C2)cnn1C
InChIInChI=1S/C15H25N3O/c1-11-13(10-17-18(11)2)14(16)12-5-8-19-15(9-12)6-3-4-7-15/h10,12,14H,3-9,16H2,1-2H3
InChIKeyBLQWGCOWMUMNAG-UHFFFAOYSA-N
XLogP2.47
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylpyrazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79911940
4-[hydrazinyl(1-oxaspiro[5.5]undecan-4-yl)methyl]-1-methylpyrazol-5-amine
CID 105230964
(2,4-difluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016664
(2-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 104789677
(2,5-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016729
(2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79915466
(2,4-difluoro-5-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010015
(1,5-dimethylpyrazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79912631
(1,5-dimethylpyrazol-4-yl)-(3-methylcyclohexyl)methanamine
CID 105155931
(3-ethyl-1-methylpyrazol-4-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 102812619
(2-bromo-4-methylphenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016287
[(1,5-dimethylpyrazol-4-yl)-(oxolan-3-yl)methyl]hydrazine
CID 105306569

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine (CID 105170198) is (1,5-dimethylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine is Cc1c(C(N)C2CCOC3(CCCC3)C2)cnn1C.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The InChIKey is BLQWGCOWMUMNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11-13(10-17-18(11)2)14(16)12-5-8-19-15(9-12)6-3-4-7-15/h10,12,14H,3-9,16H2,1-2H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
(1,5-dimethylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine has a molecular weight of 263.38 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine is sourced from PubChem (CID 105170198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).