7-(2,2-dimethylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane

C18H32N4 — CID 45237461

IUPAC7-(2,2-dimethylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane
SMILESCn1cc(CN2CCC3(CCCN(CC(C)(C)C)C3)C2)cn1
InChIInChI=1S/C18H32N4/c1-17(2,3)13-22-8-5-6-18(15-22)7-9-21(14-18)12-16-10-19-20(4)11-16/h10-11H,5-9,12-15H2,1-4H3
InChIKeyAAWMCDUOGYHGBU-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.75
Rot. Bonds3

About 7-(2,2-dimethylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane

7-(2,2-dimethylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane (PubChem CID 45237461) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is 7-(2,2-dimethylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name7-(2,2-dimethylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane
PubChem CID45237461
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC Name7-(2,2-dimethylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane
SMILESCn1cc(CN2CCC3(CCCN(CC(C)(C)C)C3)C2)cn1
InChIInChI=1S/C18H32N4/c1-17(2,3)13-22-8-5-6-18(15-22)7-9-21(14-18)12-16-10-19-20(4)11-16/h10-11H,5-9,12-15H2,1-4H3
InChIKeyAAWMCDUOGYHGBU-UHFFFAOYSA-N
XLogP2.75
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dimethylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane?
The IUPAC name of 7-(2,2-dimethylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane (CID 45237461) is 7-(2,2-dimethylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for 7-(2,2-dimethylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane?
The canonical SMILES for 7-(2,2-dimethylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane is Cn1cc(CN2CCC3(CCCN(CC(C)(C)C)C3)C2)cn1.
What is the InChIKey of 7-(2,2-dimethylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane?
The InChIKey is AAWMCDUOGYHGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4/c1-17(2,3)13-22-8-5-6-18(15-22)7-9-21(14-18)12-16-10-19-20(4)11-16/h10-11H,5-9,12-15H2,1-4H3.
What are the key properties of 7-(2,2-dimethylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane?
7-(2,2-dimethylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane has a molecular weight of 304.48 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-dimethylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 45237461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).