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5,5-difluoro-2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;ethane;3-ethyl-9-methyl-3-azaspiro[5.5]undecane

C30H61F2N3 — CID 177029011

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5,5-difluoro-2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;ethane;3-ethyl-9-methyl-3-azaspiro[5.5]undecane
SMILESCC.CC.CC(C)N1CCC2(CN(C(C)C)C2)C(F)(F)C1.CCN1CCC2(CCC(C)CC2)CC1
InChIInChI=1S/C13H24F2N2.C13H25N.2C2H6/c1-10(2)16-6-5-12(13(14,15)9-16)7-17(8-12)11(3)4;1-3-14-10-8-13(9-11-14)6-4-12(2)5-7-13;2*1-2/h10-11H,5-9H2,1-4H3;12H,3-11H2,1-2H3;2*1-2H3
InChIKeyQCMNIAHRHVYRKS-UHFFFAOYSA-N
MW501.84 g/mol
LogP7.80
Rot. Bonds3

About 5,5-difluoro-2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;ethane;3-ethyl-9-methyl-3-azaspiro[5.5]undecane

5,5-difluoro-2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;ethane;3-ethyl-9-methyl-3-azaspiro[5.5]undecane (PubChem CID 177029011) has the molecular formula C30H61F2N3 and a molecular weight of 501.84 g/mol. Its IUPAC name is 5,5-difluoro-2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;ethane;3-ethyl-9-methyl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name5,5-difluoro-2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;ethane;3-ethyl-9-methyl-3-azaspiro[5.5]undecane
PubChem CID177029011
Molecular FormulaC30H61F2N3
Molecular Weight501.84 g/mol
Exact Mass501.48
IUPAC Name5,5-difluoro-2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;ethane;3-ethyl-9-methyl-3-azaspiro[5.5]undecane
SMILESCC.CC.CC(C)N1CCC2(CN(C(C)C)C2)C(F)(F)C1.CCN1CCC2(CCC(C)CC2)CC1
InChIInChI=1S/C13H24F2N2.C13H25N.2C2H6/c1-10(2)16-6-5-12(13(14,15)9-16)7-17(8-12)11(3)4;1-3-14-10-8-13(9-11-14)6-4-12(2)5-7-13;2*1-2/h10-11H,5-9H2,1-4H3;12H,3-11H2,1-2H3;2*1-2H3
InChIKeyQCMNIAHRHVYRKS-UHFFFAOYSA-N
XLogP7.80
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.84
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,5-difluoro-2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;ethane;3-ethyl-9-methyl-3-azaspiro[5.5]undecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;ethane;3-ethyl-9-methyl-3-azaspiro[5.5]undecane?
The IUPAC name of 5,5-difluoro-2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;ethane;3-ethyl-9-methyl-3-azaspiro[5.5]undecane (CID 177029011) is 5,5-difluoro-2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;ethane;3-ethyl-9-methyl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 5,5-difluoro-2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;ethane;3-ethyl-9-methyl-3-azaspiro[5.5]undecane?
The canonical SMILES for 5,5-difluoro-2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;ethane;3-ethyl-9-methyl-3-azaspiro[5.5]undecane is CC.CC.CC(C)N1CCC2(CN(C(C)C)C2)C(F)(F)C1.CCN1CCC2(CCC(C)CC2)CC1.
What is the InChIKey of 5,5-difluoro-2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;ethane;3-ethyl-9-methyl-3-azaspiro[5.5]undecane?
The InChIKey is QCMNIAHRHVYRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2.C13H25N.2C2H6/c1-10(2)16-6-5-12(13(14,15)9-16)7-17(8-12)11(3)4;1-3-14-10-8-13(9-11-14)6-4-12(2)5-7-13;2*1-2/h10-11H,5-9H2,1-4H3;12H,3-11H2,1-2H3;2*1-2H3.
What are the key properties of 5,5-difluoro-2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;ethane;3-ethyl-9-methyl-3-azaspiro[5.5]undecane?
5,5-difluoro-2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;ethane;3-ethyl-9-methyl-3-azaspiro[5.5]undecane has a molecular weight of 501.84 g/mol, XLogP of 7.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;ethane;3-ethyl-9-methyl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 177029011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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