3,3,3-trifluoro-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine

C12H20F3NO — CID 79914370

IUPAC3,3,3-trifluoro-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
SMILESCNC(CC(F)(F)F)C1CCOC2(CCC2)C1
InChIInChI=1S/C12H20F3NO/c1-16-10(8-12(13,14)15)9-3-6-17-11(7-9)4-2-5-11/h9-10,16H,2-8H2,1H3
InChIKeyVCWLUSAKKFYLES-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.88
Rot. Bonds3

About 3,3,3-trifluoro-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine

3,3,3-trifluoro-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine (PubChem CID 79914370) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
PubChem CID79914370
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name3,3,3-trifluoro-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
SMILESCNC(CC(F)(F)F)C1CCOC2(CCC2)C1
InChIInChI=1S/C12H20F3NO/c1-16-10(8-12(13,14)15)9-3-6-17-11(7-9)4-2-5-11/h9-10,16H,2-8H2,1H3
InChIKeyVCWLUSAKKFYLES-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Difluoromethoxy)-7-propan-2-yl-6-azaspiro[3.5]nonane
CID 170771444
2-(3-Methoxycyclohexyl)-5-(trifluoromethyl)piperidine
CID 5231219
N-methyl-1-(4-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55093564
N-methyl-1-(3-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55094199
1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095357
N,7-dimethyl-1-(2,2,2-trifluoroethoxy)octan-4-amine
CID 55095372
N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61490333
N,4-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61749117
N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 61749685
N-methyl-4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61749934
4-ethyl-N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61750304
2-ethyl-2-methyl-N-(3,3,3-trifluoropropyl)oxan-4-amine
CID 64102494

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine (CID 79914370) is 3,3,3-trifluoro-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine is CNC(CC(F)(F)F)C1CCOC2(CCC2)C1.
What is the InChIKey of 3,3,3-trifluoro-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine?
The InChIKey is VCWLUSAKKFYLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-16-10(8-12(13,14)15)9-3-6-17-11(7-9)4-2-5-11/h9-10,16H,2-8H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine?
3,3,3-trifluoro-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine has a molecular weight of 251.29 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine is sourced from PubChem (CID 79914370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).