N-[2,2-diethyl-4-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine

C13H24F3NO — CID 62723269

IUPACN-[2,2-diethyl-4-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine
SMILESCCC(CC)(CCOCC(F)(F)F)CNC1CC1
InChIInChI=1S/C13H24F3NO/c1-3-12(4-2,9-17-11-5-6-11)7-8-18-10-13(14,15)16/h11,17H,3-10H2,1-2H3
InChIKeyZVJSYPAZKFIAIW-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.51
Rot. Bonds9

About N-[2,2-diethyl-4-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine

N-[2,2-diethyl-4-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine (PubChem CID 62723269) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[2,2-diethyl-4-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2,2-diethyl-4-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine
PubChem CID62723269
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC NameN-[2,2-diethyl-4-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine
SMILESCCC(CC)(CCOCC(F)(F)F)CNC1CC1
InChIInChI=1S/C13H24F3NO/c1-3-12(4-2,9-17-11-5-6-11)7-8-18-10-13(14,15)16/h11,17H,3-10H2,1-2H3
InChIKeyZVJSYPAZKFIAIW-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.51
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-4-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine?
The IUPAC name of N-[2,2-diethyl-4-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine (CID 62723269) is N-[2,2-diethyl-4-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine.
What is the SMILES notation for N-[2,2-diethyl-4-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine?
The canonical SMILES for N-[2,2-diethyl-4-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine is CCC(CC)(CCOCC(F)(F)F)CNC1CC1.
What is the InChIKey of N-[2,2-diethyl-4-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine?
The InChIKey is ZVJSYPAZKFIAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-3-12(4-2,9-17-11-5-6-11)7-8-18-10-13(14,15)16/h11,17H,3-10H2,1-2H3.
What are the key properties of N-[2,2-diethyl-4-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine?
N-[2,2-diethyl-4-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine has a molecular weight of 267.33 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-diethyl-4-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine is sourced from PubChem (CID 62723269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).