9-(trifluoromethyl)-3-azaspiro[5.5]undecan-9-amine

C11H19F3N2 — CID 155895165

IUPAC9-(trifluoromethyl)-3-azaspiro[5.5]undecan-9-amine
SMILESNC1(C(F)(F)F)CCC2(CCNCC2)CC1
InChIInChI=1S/C11H19F3N2/c12-11(13,14)10(15)3-1-9(2-4-10)5-7-16-8-6-9/h16H,1-8,15H2
InChIKeyXWJFSSVAHBRHLP-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.19
Rot. Bonds

About 9-(trifluoromethyl)-3-azaspiro[5.5]undecan-9-amine

9-(trifluoromethyl)-3-azaspiro[5.5]undecan-9-amine (PubChem CID 155895165) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 9-(trifluoromethyl)-3-azaspiro[5.5]undecan-9-amine.

Molecular Properties

Compound Name9-(trifluoromethyl)-3-azaspiro[5.5]undecan-9-amine
PubChem CID155895165
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name9-(trifluoromethyl)-3-azaspiro[5.5]undecan-9-amine
SMILESNC1(C(F)(F)F)CCC2(CCNCC2)CC1
InChIInChI=1S/C11H19F3N2/c12-11(13,14)10(15)3-1-9(2-4-10)5-7-16-8-6-9/h16H,1-8,15H2
InChIKeyXWJFSSVAHBRHLP-UHFFFAOYSA-N
XLogP2.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(trifluoromethyl)-3-azaspiro[5.5]undecan-9-amine?
The IUPAC name of 9-(trifluoromethyl)-3-azaspiro[5.5]undecan-9-amine (CID 155895165) is 9-(trifluoromethyl)-3-azaspiro[5.5]undecan-9-amine.
What is the SMILES notation for 9-(trifluoromethyl)-3-azaspiro[5.5]undecan-9-amine?
The canonical SMILES for 9-(trifluoromethyl)-3-azaspiro[5.5]undecan-9-amine is NC1(C(F)(F)F)CCC2(CCNCC2)CC1.
What is the InChIKey of 9-(trifluoromethyl)-3-azaspiro[5.5]undecan-9-amine?
The InChIKey is XWJFSSVAHBRHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c12-11(13,14)10(15)3-1-9(2-4-10)5-7-16-8-6-9/h16H,1-8,15H2.
What are the key properties of 9-(trifluoromethyl)-3-azaspiro[5.5]undecan-9-amine?
9-(trifluoromethyl)-3-azaspiro[5.5]undecan-9-amine has a molecular weight of 236.28 g/mol, XLogP of 2.19, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(trifluoromethyl)-3-azaspiro[5.5]undecan-9-amine is sourced from PubChem (CID 155895165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).