N-tert-butyl-2-cyclopropyl-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

C13H24F3NO — CID 106706197

IUPACN-tert-butyl-2-cyclopropyl-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCC(C)(C)NCC(C)(COCC(F)(F)F)C1CC1
InChIInChI=1S/C13H24F3NO/c1-11(2,3)17-7-12(4,10-5-6-10)8-18-9-13(14,15)16/h10,17H,5-9H2,1-4H3
InChIKeyQEONFRUSSPGLLG-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.37
Rot. Bonds6

About N-tert-butyl-2-cyclopropyl-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-tert-butyl-2-cyclopropyl-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 106706197) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is N-tert-butyl-2-cyclopropyl-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-cyclopropyl-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID106706197
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC NameN-tert-butyl-2-cyclopropyl-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCC(C)(C)NCC(C)(COCC(F)(F)F)C1CC1
InChIInChI=1S/C13H24F3NO/c1-11(2,3)17-7-12(4,10-5-6-10)8-18-9-13(14,15)16/h10,17H,5-9H2,1-4H3
InChIKeyQEONFRUSSPGLLG-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-cyclopropyl-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-tert-butyl-2-cyclopropyl-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 106706197) is N-tert-butyl-2-cyclopropyl-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-tert-butyl-2-cyclopropyl-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-tert-butyl-2-cyclopropyl-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is CC(C)(C)NCC(C)(COCC(F)(F)F)C1CC1.
What is the InChIKey of N-tert-butyl-2-cyclopropyl-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is QEONFRUSSPGLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-11(2,3)17-7-12(4,10-5-6-10)8-18-9-13(14,15)16/h10,17H,5-9H2,1-4H3.
What are the key properties of N-tert-butyl-2-cyclopropyl-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-tert-butyl-2-cyclopropyl-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-cyclopropyl-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 106706197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).