N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine

C14H24F3NO — CID 66351620

IUPACN-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine
SMILESCNC1CC(OC(C)C(F)(F)F)C12CCCCCC2
InChIInChI=1S/C14H24F3NO/c1-10(14(15,16)17)19-12-9-11(18-2)13(12)7-5-3-4-6-8-13/h10-12,18H,3-9H2,1-2H3
InChIKeyWNLKFLCFXKANBG-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.65
Rot. Bonds3

About N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine

N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine (PubChem CID 66351620) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine
PubChem CID66351620
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC NameN-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine
SMILESCNC1CC(OC(C)C(F)(F)F)C12CCCCCC2
InChIInChI=1S/C14H24F3NO/c1-10(14(15,16)17)19-12-9-11(18-2)13(12)7-5-3-4-6-8-13/h10-12,18H,3-9H2,1-2H3
InChIKeyWNLKFLCFXKANBG-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine
CID 66350084
N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine
CID 66350530
N,2,2-trimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
CID 66349872
N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.6]decan-1-amine
CID 66357764
3-(1-methoxypropan-2-yloxy)-N-methylspiro[3.4]octan-1-amine
CID 66350720
3-(2,2-difluoroethoxy)-N-methylspiro[3.6]decan-1-amine
CID 82009336
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163
3-(3,5-dimethylcyclohexyl)oxy-N-methylspiro[3.5]nonan-1-amine
CID 66351605
N-methyl-3-(4-propan-2-ylphenoxy)spiro[3.5]nonan-1-amine
CID 66359517
(1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride
CID 155906111
N-methyl-3-(4-methylcyclohexyl)oxyspiro[3.6]decan-1-amine
CID 66357175
3-(4,4-dimethylcyclohexyl)oxy-N-methylspiro[3.4]octan-1-amine
CID 114342840

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine?
The IUPAC name of N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine (CID 66351620) is N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine.
What is the SMILES notation for N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine?
The canonical SMILES for N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine is CNC1CC(OC(C)C(F)(F)F)C12CCCCCC2.
What is the InChIKey of N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine?
The InChIKey is WNLKFLCFXKANBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-10(14(15,16)17)19-12-9-11(18-2)13(12)7-5-3-4-6-8-13/h10-12,18H,3-9H2,1-2H3.
What are the key properties of N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine?
N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine has a molecular weight of 279.35 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine is sourced from PubChem (CID 66351620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).