8-(2-methylpropyl)-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane

C15H27F3N2 — CID 64876420

IUPAC8-(2-methylpropyl)-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane
SMILESCC(C)CC1CNC2(CCCC2)CN1CCC(F)(F)F
InChIInChI=1S/C15H27F3N2/c1-12(2)9-13-10-19-14(5-3-4-6-14)11-20(13)8-7-15(16,17)18/h12-13,19H,3-11H2,1-2H3
InChIKeyASNVFXLBIQYIBC-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.57
Rot. Bonds4

About 8-(2-methylpropyl)-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane

8-(2-methylpropyl)-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane (PubChem CID 64876420) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 8-(2-methylpropyl)-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2-methylpropyl)-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane
PubChem CID64876420
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC Name8-(2-methylpropyl)-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane
SMILESCC(C)CC1CNC2(CCCC2)CN1CCC(F)(F)F
InChIInChI=1S/C15H27F3N2/c1-12(2)9-13-10-19-14(5-3-4-6-14)11-20(13)8-7-15(16,17)18/h12-13,19H,3-11H2,1-2H3
InChIKeyASNVFXLBIQYIBC-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-(2-methylpropyl)-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane with MolForge

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Related Compounds

3,4-bis(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64876468
8-butan-2-yl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane
CID 64878141
8-(2-methylpropyl)-9-(2-propan-2-yloxyethyl)-6,9-diazaspiro[4.5]decane
CID 64878149
9-[(E)-3-chloroprop-2-enyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 114014122
4-(3-ethoxypropyl)-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 65178246
5-ethyl-5-methyl-2-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)piperazine
CID 115518989
8-(2-methylpropyl)-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64876228
8-(2-methylpropyl)-9-(2-phenylmethoxyethyl)-6,9-diazaspiro[4.5]decane
CID 112752388
9-[(5-methyloxolan-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 103141460
1-(3,3-dimethylbutyl)-5,5-diethyl-2-(2-methylpropyl)piperazine
CID 64860054
5-ethyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine
CID 64841750
3-methyl-4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64877798

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylpropyl)-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-(2-methylpropyl)-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane (CID 64876420) is 8-(2-methylpropyl)-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(2-methylpropyl)-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-(2-methylpropyl)-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane is CC(C)CC1CNC2(CCCC2)CN1CCC(F)(F)F.
What is the InChIKey of 8-(2-methylpropyl)-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is ASNVFXLBIQYIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-12(2)9-13-10-19-14(5-3-4-6-14)11-20(13)8-7-15(16,17)18/h12-13,19H,3-11H2,1-2H3.
What are the key properties of 8-(2-methylpropyl)-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane?
8-(2-methylpropyl)-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 292.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylpropyl)-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64876420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).