8-ethyl-6-[(1-ethylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane

C16H28N4 — CID 64841020

IUPAC8-ethyl-6-[(1-ethylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane
SMILESCCC1CN(Cc2cnn(CC)c2)C2(CCCC2)CN1
InChIInChI=1S/C16H28N4/c1-3-15-12-19(10-14-9-18-20(4-2)11-14)16(13-17-15)7-5-6-8-16/h9,11,15,17H,3-8,10,12-13H2,1-2H3
InChIKeyDHAPZIXRELBLJQ-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.40
Rot. Bonds4

About 8-ethyl-6-[(1-ethylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane

8-ethyl-6-[(1-ethylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane (PubChem CID 64841020) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 8-ethyl-6-[(1-ethylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-ethyl-6-[(1-ethylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane
PubChem CID64841020
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name8-ethyl-6-[(1-ethylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane
SMILESCCC1CN(Cc2cnn(CC)c2)C2(CCCC2)CN1
InChIInChI=1S/C16H28N4/c1-3-15-12-19(10-14-9-18-20(4-2)11-14)16(13-17-15)7-5-6-8-16/h9,11,15,17H,3-8,10,12-13H2,1-2H3
InChIKeyDHAPZIXRELBLJQ-UHFFFAOYSA-N
XLogP2.40
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethylpyrazol-4-yl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine
CID 64848565
2-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]-2,5-dimethylpiperazine
CID 64844969
6-[(5-chloro-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
CID 103050788
6-[(4-iodophenyl)methyl]-8-propyl-6,9-diazaspiro[4.5]decane
CID 65490573
3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane
CID 80697421
6-[(5-bromo-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64843737
8-ethyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane
CID 81114428
3-(1-ethylpyrazol-4-yl)-2-azaspiro[3.4]octane
CID 130575204
8-ethyl-6-(3-ethylsulfonylpropyl)-6,9-diazaspiro[4.5]decane
CID 65097005
2-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-5-propylpiperazine
CID 64846772
6-benzyl-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 64848189
2-[(1-ethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907844

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-[(1-ethylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-ethyl-6-[(1-ethylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane (CID 64841020) is 8-ethyl-6-[(1-ethylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-ethyl-6-[(1-ethylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-ethyl-6-[(1-ethylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane is CCC1CN(Cc2cnn(CC)c2)C2(CCCC2)CN1.
What is the InChIKey of 8-ethyl-6-[(1-ethylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane?
The InChIKey is DHAPZIXRELBLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-3-15-12-19(10-14-9-18-20(4-2)11-14)16(13-17-15)7-5-6-8-16/h9,11,15,17H,3-8,10,12-13H2,1-2H3.
What are the key properties of 8-ethyl-6-[(1-ethylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane?
8-ethyl-6-[(1-ethylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane has a molecular weight of 276.43 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-[(1-ethylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64841020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).