5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-methylpentan-2-amine

C11H20F3NO — CID 103559452

IUPAC5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-methylpentan-2-amine
SMILESCNC(CCC(F)(F)F)CC1(OC)CCC1
InChIInChI=1S/C11H20F3NO/c1-15-9(4-7-11(12,13)14)8-10(16-2)5-3-6-10/h9,15H,3-8H2,1-2H3
InChIKeyHOAJGTRKQQPQQM-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.88
Rot. Bonds6

About 5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-methylpentan-2-amine

5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-methylpentan-2-amine (PubChem CID 103559452) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-methylpentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-methylpentan-2-amine
PubChem CID103559452
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-methylpentan-2-amine
SMILESCNC(CCC(F)(F)F)CC1(OC)CCC1
InChIInChI=1S/C11H20F3NO/c1-15-9(4-7-11(12,13)14)8-10(16-2)5-3-6-10/h9,15H,3-8H2,1-2H3
InChIKeyHOAJGTRKQQPQQM-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine
CID 66350971
N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine
CID 66351620
N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-1-amine
CID 66357164
N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.6]decan-1-amine
CID 66357764
N-(2,2,2-trifluoroethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897879
N-(3,3,3-trifluoropropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79904109
3,3,3-trifluoro-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
CID 79914370
4,4,4-trifluoro-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 79953763
3-(2,2-difluoroethoxy)-N-methylspiro[3.6]decan-1-amine
CID 82009336
3-(2,2-difluoroethoxy)-N-methylspiro[3.5]nonan-1-amine
CID 82010409
N-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine
CID 82794279
N-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.6]decan-1-amine
CID 82795259

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-methylpentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-methylpentan-2-amine (CID 103559452) is 5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-methylpentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-methylpentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-methylpentan-2-amine is CNC(CCC(F)(F)F)CC1(OC)CCC1.
What is the InChIKey of 5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-methylpentan-2-amine?
The InChIKey is HOAJGTRKQQPQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-15-9(4-7-11(12,13)14)8-10(16-2)5-3-6-10/h9,15H,3-8H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-methylpentan-2-amine?
5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-methylpentan-2-amine has a molecular weight of 239.28 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-methylpentan-2-amine is sourced from PubChem (CID 103559452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).