N-[3,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butyl]cyclopropanamine

C13H24F3NO — CID 83139522

IUPACN-[3,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butyl]cyclopropanamine
SMILESCC(C)(C)C(CCOCC(F)(F)F)CNC1CC1
InChIInChI=1S/C13H24F3NO/c1-12(2,3)10(8-17-11-4-5-11)6-7-18-9-13(14,15)16/h10-11,17H,4-9H2,1-3H3
InChIKeyOQLSVBCWGBGRCU-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.37
Rot. Bonds7

About N-[3,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butyl]cyclopropanamine

N-[3,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butyl]cyclopropanamine (PubChem CID 83139522) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[3,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butyl]cyclopropanamine
PubChem CID83139522
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC NameN-[3,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butyl]cyclopropanamine
SMILESCC(C)(C)C(CCOCC(F)(F)F)CNC1CC1
InChIInChI=1S/C13H24F3NO/c1-12(2,3)10(8-17-11-4-5-11)6-7-18-9-13(14,15)16/h10-11,17H,4-9H2,1-3H3
InChIKeyOQLSVBCWGBGRCU-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.37
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-[3,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butyl]cyclopropanamine?
The IUPAC name of N-[3,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butyl]cyclopropanamine (CID 83139522) is N-[3,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butyl]cyclopropanamine.
What is the SMILES notation for N-[3,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butyl]cyclopropanamine?
The canonical SMILES for N-[3,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butyl]cyclopropanamine is CC(C)(C)C(CCOCC(F)(F)F)CNC1CC1.
What is the InChIKey of N-[3,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butyl]cyclopropanamine?
The InChIKey is OQLSVBCWGBGRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-12(2,3)10(8-17-11-4-5-11)6-7-18-9-13(14,15)16/h10-11,17H,4-9H2,1-3H3.
What are the key properties of N-[3,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butyl]cyclopropanamine?
N-[3,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butyl]cyclopropanamine has a molecular weight of 267.33 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butyl]cyclopropanamine is sourced from PubChem (CID 83139522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).