6-cyclopropyl-2-methyl-6-azaspiro[3.5]nonane;9,9-difluoro-2,6-dimethyl-6-azaspiro[3.5]nonane;ethane

C26H50F2N2 — CID 164868329

IUPAC6-cyclopropyl-2-methyl-6-azaspiro[3.5]nonane;9,9-difluoro-2,6-dimethyl-6-azaspiro[3.5]nonane;ethane
SMILESCC.CC.CC1CC2(C1)CN(C)CCC2(F)F.CC1CC2(CCCN(C3CC3)C2)C1
InChIInChI=1S/C12H21N.C10H17F2N.2C2H6/c1-10-7-12(8-10)5-2-6-13(9-12)11-3-4-11;1-8-5-9(6-8)7-13(2)4-3-10(9,11)12;2*1-2/h10-11H,2-9H2,1H3;8H,3-7H2,1-2H3;2*1-2H3
InChIKeyOBQRGWNQJGUQHB-UHFFFAOYSA-N
MW428.70 g/mol
LogP7.09
Rot. Bonds1

About 6-cyclopropyl-2-methyl-6-azaspiro[3.5]nonane;9,9-difluoro-2,6-dimethyl-6-azaspiro[3.5]nonane;ethane

6-cyclopropyl-2-methyl-6-azaspiro[3.5]nonane;9,9-difluoro-2,6-dimethyl-6-azaspiro[3.5]nonane;ethane (PubChem CID 164868329) has the molecular formula C26H50F2N2 and a molecular weight of 428.70 g/mol. Its IUPAC name is 6-cyclopropyl-2-methyl-6-azaspiro[3.5]nonane;9,9-difluoro-2,6-dimethyl-6-azaspiro[3.5]nonane;ethane.

Molecular Properties

Compound Name6-cyclopropyl-2-methyl-6-azaspiro[3.5]nonane;9,9-difluoro-2,6-dimethyl-6-azaspiro[3.5]nonane;ethane
PubChem CID164868329
Molecular FormulaC26H50F2N2
Molecular Weight428.70 g/mol
Exact Mass428.39
IUPAC Name6-cyclopropyl-2-methyl-6-azaspiro[3.5]nonane;9,9-difluoro-2,6-dimethyl-6-azaspiro[3.5]nonane;ethane
SMILESCC.CC.CC1CC2(C1)CN(C)CCC2(F)F.CC1CC2(CCCN(C3CC3)C2)C1
InChIInChI=1S/C12H21N.C10H17F2N.2C2H6/c1-10-7-12(8-10)5-2-6-13(9-12)11-3-4-11;1-8-5-9(6-8)7-13(2)4-3-10(9,11)12;2*1-2/h10-11H,2-9H2,1H3;8H,3-7H2,1-2H3;2*1-2H3
InChIKeyOBQRGWNQJGUQHB-UHFFFAOYSA-N
XLogP7.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.70
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-methyl-6-azaspiro[3.5]nonane;9,9-difluoro-2,6-dimethyl-6-azaspiro[3.5]nonane;ethane?
The IUPAC name of 6-cyclopropyl-2-methyl-6-azaspiro[3.5]nonane;9,9-difluoro-2,6-dimethyl-6-azaspiro[3.5]nonane;ethane (CID 164868329) is 6-cyclopropyl-2-methyl-6-azaspiro[3.5]nonane;9,9-difluoro-2,6-dimethyl-6-azaspiro[3.5]nonane;ethane.
What is the SMILES notation for 6-cyclopropyl-2-methyl-6-azaspiro[3.5]nonane;9,9-difluoro-2,6-dimethyl-6-azaspiro[3.5]nonane;ethane?
The canonical SMILES for 6-cyclopropyl-2-methyl-6-azaspiro[3.5]nonane;9,9-difluoro-2,6-dimethyl-6-azaspiro[3.5]nonane;ethane is CC.CC.CC1CC2(C1)CN(C)CCC2(F)F.CC1CC2(CCCN(C3CC3)C2)C1.
What is the InChIKey of 6-cyclopropyl-2-methyl-6-azaspiro[3.5]nonane;9,9-difluoro-2,6-dimethyl-6-azaspiro[3.5]nonane;ethane?
The InChIKey is OBQRGWNQJGUQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N.C10H17F2N.2C2H6/c1-10-7-12(8-10)5-2-6-13(9-12)11-3-4-11;1-8-5-9(6-8)7-13(2)4-3-10(9,11)12;2*1-2/h10-11H,2-9H2,1H3;8H,3-7H2,1-2H3;2*1-2H3.
What are the key properties of 6-cyclopropyl-2-methyl-6-azaspiro[3.5]nonane;9,9-difluoro-2,6-dimethyl-6-azaspiro[3.5]nonane;ethane?
6-cyclopropyl-2-methyl-6-azaspiro[3.5]nonane;9,9-difluoro-2,6-dimethyl-6-azaspiro[3.5]nonane;ethane has a molecular weight of 428.70 g/mol, XLogP of 7.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-methyl-6-azaspiro[3.5]nonane;9,9-difluoro-2,6-dimethyl-6-azaspiro[3.5]nonane;ethane is sourced from PubChem (CID 164868329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).