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

C15H27F3N2 — CID 64878141

IUPAC8-butan-2-yl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane
SMILESCCC(C)C1CNC2(CCCC2)CN1CCC(F)(F)F
InChIInChI=1S/C15H27F3N2/c1-3-12(2)13-10-19-14(6-4-5-7-14)11-20(13)9-8-15(16,17)18/h12-13,19H,3-11H2,1-2H3
InChIKeyRZRHIVPILWEOPS-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.57
Rot. Bonds4

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

8-butan-2-yl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane (PubChem CID 64878141) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 8-butan-2-yl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-butan-2-yl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane
PubChem CID64878141
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC Name8-butan-2-yl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane
SMILESCCC(C)C1CNC2(CCCC2)CN1CCC(F)(F)F
InChIInChI=1S/C15H27F3N2/c1-3-12(2)13-10-19-14(6-4-5-7-14)11-20(13)9-8-15(16,17)18/h12-13,19H,3-11H2,1-2H3
InChIKeyRZRHIVPILWEOPS-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

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Related Compounds

3-butan-2-yl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane
CID 64877619
8-butan-2-yl-9-hexyl-6,9-diazaspiro[4.5]decane
CID 64875646
8-(2-methylpropyl)-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane
CID 64876420
3-butan-2-yl-4-(cyclopropylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64877428
3-butan-2-yl-4-[(E)-3-chloroprop-2-enyl]-1,4-diazaspiro[5.5]undecane
CID 107901725
2-butan-2-yl-5,5-diethyl-1-(4,4,4-trifluorobutyl)piperazine
CID 115519095
8-butan-2-yl-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64877949
8-butan-2-yl-9-[(1-methyltriazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 107055888
9-(2-methylbutyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64878139
9-(2-ethoxyethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64878522
9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 115327089
2-butan-2-yl-5,5-diethyl-1-(3-methoxy-3-methylbutyl)piperazine
CID 103016623

Frequently Asked Questions

What is the IUPAC name of 8-butan-2-yl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-butan-2-yl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane (CID 64878141) is 8-butan-2-yl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-butan-2-yl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-butan-2-yl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane is CCC(C)C1CNC2(CCCC2)CN1CCC(F)(F)F.
What is the InChIKey of 8-butan-2-yl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is RZRHIVPILWEOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-3-12(2)13-10-19-14(6-4-5-7-14)11-20(13)9-8-15(16,17)18/h12-13,19H,3-11H2,1-2H3.
What are the key properties of 8-butan-2-yl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane?
8-butan-2-yl-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-butan-2-yl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64878141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).