8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane

C17H30N4O — CID 91910579

IUPAC8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(C)CC12CCN(Cc1cc(C)nn1C)CC2
InChIInChI=1S/C17H30N4O/c1-14-9-16(20(3)18-14)11-21-7-5-17(6-8-21)13-19(2)10-15(17)12-22-4/h9,15H,5-8,10-13H2,1-4H3
InChIKeyWVEWBIUHPHWHKJ-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.52
Rot. Bonds4

About 8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane

8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane (PubChem CID 91910579) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
PubChem CID91910579
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(C)CC12CCN(Cc1cc(C)nn1C)CC2
InChIInChI=1S/C17H30N4O/c1-14-9-16(20(3)18-14)11-21-7-5-17(6-8-21)13-19(2)10-15(17)12-22-4/h9,15H,5-8,10-13H2,1-4H3
InChIKeyWVEWBIUHPHWHKJ-UHFFFAOYSA-N
XLogP1.52
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane (CID 91910579) is 8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane is COCC1CN(C)CC12CCN(Cc1cc(C)nn1C)CC2.
What is the InChIKey of 8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
The InChIKey is WVEWBIUHPHWHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-14-9-16(20(3)18-14)11-21-7-5-17(6-8-21)13-19(2)10-15(17)12-22-4/h9,15H,5-8,10-13H2,1-4H3.
What are the key properties of 8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane has a molecular weight of 306.45 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91910579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).