N-methyl-1-[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methanamine

C11H20F3NO — CID 81016967

IUPACN-methyl-1-[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methanamine
SMILESCNCC1CCC1CCCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-15-7-10-5-4-9(10)3-2-6-16-8-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyYENPZIAEMMTBAO-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.59
Rot. Bonds7

About N-methyl-1-[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methanamine

N-methyl-1-[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methanamine (PubChem CID 81016967) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-methyl-1-[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methanamine
PubChem CID81016967
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-methyl-1-[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methanamine
SMILESCNCC1CCC1CCCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-15-7-10-5-4-9(10)3-2-6-16-8-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyYENPZIAEMMTBAO-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methanamine?
The IUPAC name of N-methyl-1-[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methanamine (CID 81016967) is N-methyl-1-[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methanamine?
The canonical SMILES for N-methyl-1-[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methanamine is CNCC1CCC1CCCOCC(F)(F)F.
What is the InChIKey of N-methyl-1-[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methanamine?
The InChIKey is YENPZIAEMMTBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-15-7-10-5-4-9(10)3-2-6-16-8-11(12,13)14/h9-10,15H,2-8H2,1H3.
What are the key properties of N-methyl-1-[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methanamine?
N-methyl-1-[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methanamine has a molecular weight of 239.28 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methanamine is sourced from PubChem (CID 81016967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).