N-[2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine

C11H20F3NO — CID 62531098

IUPACN-[2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine
SMILESCC(CCCOCC(F)(F)F)CNC1CC1
InChIInChI=1S/C11H20F3NO/c1-9(7-15-10-4-5-10)3-2-6-16-8-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyYLFDGFZBFMBFOC-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.73
Rot. Bonds8

About N-[2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine

N-[2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine (PubChem CID 62531098) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine
PubChem CID62531098
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-[2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine
SMILESCC(CCCOCC(F)(F)F)CNC1CC1
InChIInChI=1S/C11H20F3NO/c1-9(7-15-10-4-5-10)3-2-6-16-8-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyYLFDGFZBFMBFOC-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.73
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-[2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine (CID 62531098) is N-[2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine is CC(CCCOCC(F)(F)F)CNC1CC1.
What is the InChIKey of N-[2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine?
The InChIKey is YLFDGFZBFMBFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-9(7-15-10-4-5-10)3-2-6-16-8-11(12,13)14/h9-10,15H,2-8H2,1H3.
What are the key properties of N-[2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine?
N-[2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine has a molecular weight of 239.28 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine is sourced from PubChem (CID 62531098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).