N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine

C13H24F3NO — CID 55036583

IUPACN-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
SMILESCC(C)NCC1(OCC(F)(F)F)CCCCCC1
InChIInChI=1S/C13H24F3NO/c1-11(2)17-9-12(18-10-13(14,15)16)7-5-3-4-6-8-12/h11,17H,3-10H2,1-2H3
InChIKeyALRGNZSPSUGWPZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.66
Rot. Bonds5

About N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine

N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine (PubChem CID 55036583) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
PubChem CID55036583
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC NameN-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
SMILESCC(C)NCC1(OCC(F)(F)F)CCCCCC1
InChIInChI=1S/C13H24F3NO/c1-11(2)17-9-12(18-10-13(14,15)16)7-5-3-4-6-8-12/h11,17H,3-10H2,1-2H3
InChIKeyALRGNZSPSUGWPZ-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine (CID 55036583) is N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine is CC(C)NCC1(OCC(F)(F)F)CCCCCC1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine?
The InChIKey is ALRGNZSPSUGWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-11(2)17-9-12(18-10-13(14,15)16)7-5-3-4-6-8-12/h11,17H,3-10H2,1-2H3.
What are the key properties of N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine?
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine has a molecular weight of 267.33 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine is sourced from PubChem (CID 55036583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).