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

C14H26F3NO — CID 55106797

IUPACN-[2,2-diethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine
SMILESCCC(CC)(CCCOCC(F)(F)F)CNC1CC1
InChIInChI=1S/C14H26F3NO/c1-3-13(4-2,10-18-12-6-7-12)8-5-9-19-11-14(15,16)17/h12,18H,3-11H2,1-2H3
InChIKeyUQJGFCVROPYHNE-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.90
Rot. Bonds10

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

N-[2,2-diethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine (PubChem CID 55106797) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[2,2-diethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2,2-diethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine
PubChem CID55106797
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN-[2,2-diethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine
SMILESCCC(CC)(CCCOCC(F)(F)F)CNC1CC1
InChIInChI=1S/C14H26F3NO/c1-3-13(4-2,10-18-12-6-7-12)8-5-9-19-11-14(15,16)17/h12,18H,3-11H2,1-2H3
InChIKeyUQJGFCVROPYHNE-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.90
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-[2,2-diethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine?
The IUPAC name of N-[2,2-diethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine (CID 55106797) is N-[2,2-diethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine.
What is the SMILES notation for N-[2,2-diethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine?
The canonical SMILES for N-[2,2-diethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine is CCC(CC)(CCCOCC(F)(F)F)CNC1CC1.
What is the InChIKey of N-[2,2-diethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine?
The InChIKey is UQJGFCVROPYHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-3-13(4-2,10-18-12-6-7-12)8-5-9-19-11-14(15,16)17/h12,18H,3-11H2,1-2H3.
What are the key properties of N-[2,2-diethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine?
N-[2,2-diethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine has a molecular weight of 281.36 g/mol, XLogP of 3.90, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-diethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine is sourced from PubChem (CID 55106797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).