8,8-dimethyl-6-(2-pyrazol-1-ylethyl)-6,9-diazaspiro[4.5]decane

C15H26N4 — CID 64843633

IUPAC8,8-dimethyl-6-(2-pyrazol-1-ylethyl)-6,9-diazaspiro[4.5]decane
SMILESCC1(C)CN(CCn2cccn2)C2(CCCC2)CN1
InChIInChI=1S/C15H26N4/c1-14(2)13-18(10-11-19-9-5-8-17-19)15(12-16-14)6-3-4-7-15/h5,8-9,16H,3-4,6-7,10-13H2,1-2H3
InChIKeyZNPQGYCKVJZVSL-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.88
Rot. Bonds3

About 8,8-dimethyl-6-(2-pyrazol-1-ylethyl)-6,9-diazaspiro[4.5]decane

8,8-dimethyl-6-(2-pyrazol-1-ylethyl)-6,9-diazaspiro[4.5]decane (PubChem CID 64843633) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 8,8-dimethyl-6-(2-pyrazol-1-ylethyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8,8-dimethyl-6-(2-pyrazol-1-ylethyl)-6,9-diazaspiro[4.5]decane
PubChem CID64843633
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name8,8-dimethyl-6-(2-pyrazol-1-ylethyl)-6,9-diazaspiro[4.5]decane
SMILESCC1(C)CN(CCn2cccn2)C2(CCCC2)CN1
InChIInChI=1S/C15H26N4/c1-14(2)13-18(10-11-19-9-5-8-17-19)15(12-16-14)6-3-4-7-15/h5,8-9,16H,3-4,6-7,10-13H2,1-2H3
InChIKeyZNPQGYCKVJZVSL-UHFFFAOYSA-N
XLogP1.88
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-6-(2-pyrazol-1-ylethyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8,8-dimethyl-6-(2-pyrazol-1-ylethyl)-6,9-diazaspiro[4.5]decane (CID 64843633) is 8,8-dimethyl-6-(2-pyrazol-1-ylethyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8,8-dimethyl-6-(2-pyrazol-1-ylethyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8,8-dimethyl-6-(2-pyrazol-1-ylethyl)-6,9-diazaspiro[4.5]decane is CC1(C)CN(CCn2cccn2)C2(CCCC2)CN1.
What is the InChIKey of 8,8-dimethyl-6-(2-pyrazol-1-ylethyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is ZNPQGYCKVJZVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-14(2)13-18(10-11-19-9-5-8-17-19)15(12-16-14)6-3-4-7-15/h5,8-9,16H,3-4,6-7,10-13H2,1-2H3.
What are the key properties of 8,8-dimethyl-6-(2-pyrazol-1-ylethyl)-6,9-diazaspiro[4.5]decane?
8,8-dimethyl-6-(2-pyrazol-1-ylethyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 262.40 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-6-(2-pyrazol-1-ylethyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64843633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).