N-ethyl-2-methyl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine

C12H21F3N2 — CID 170629485

IUPACN-ethyl-2-methyl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine
SMILESCCNC1CCC2(CC1C(F)(F)F)CN(C)C2
InChIInChI=1S/C12H21F3N2/c1-3-16-10-4-5-11(7-17(2)8-11)6-9(10)12(13,14)15/h9-10,16H,3-8H2,1-2H3
InChIKeyRRAPULOPNDBEDB-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.26
Rot. Bonds2

About N-ethyl-2-methyl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine

N-ethyl-2-methyl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine (PubChem CID 170629485) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-ethyl-2-methyl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine
PubChem CID170629485
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC NameN-ethyl-2-methyl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine
SMILESCCNC1CCC2(CC1C(F)(F)F)CN(C)C2
InChIInChI=1S/C12H21F3N2/c1-3-16-10-4-5-11(7-17(2)8-11)6-9(10)12(13,14)15/h9-10,16H,3-8H2,1-2H3
InChIKeyRRAPULOPNDBEDB-UHFFFAOYSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine?
The IUPAC name of N-ethyl-2-methyl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine (CID 170629485) is N-ethyl-2-methyl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine.
What is the SMILES notation for N-ethyl-2-methyl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine?
The canonical SMILES for N-ethyl-2-methyl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine is CCNC1CCC2(CC1C(F)(F)F)CN(C)C2.
What is the InChIKey of N-ethyl-2-methyl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine?
The InChIKey is RRAPULOPNDBEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-3-16-10-4-5-11(7-17(2)8-11)6-9(10)12(13,14)15/h9-10,16H,3-8H2,1-2H3.
What are the key properties of N-ethyl-2-methyl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine?
N-ethyl-2-methyl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine has a molecular weight of 250.31 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine is sourced from PubChem (CID 170629485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).