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

C13H22F3NO — CID 62109404

IUPACN-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]cyclopropanamine
SMILESFC(F)(F)COC1(CNC2CC2)CCCCCC1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)10-18-12(9-17-11-5-6-11)7-3-1-2-4-8-12/h11,17H,1-10H2
InChIKeyCHHFZGWLLKITIV-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.41
Rot. Bonds5

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

N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]cyclopropanamine (PubChem CID 62109404) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]cyclopropanamine
PubChem CID62109404
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC NameN-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]cyclopropanamine
SMILESFC(F)(F)COC1(CNC2CC2)CCCCCC1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)10-18-12(9-17-11-5-6-11)7-3-1-2-4-8-12/h11,17H,1-10H2
InChIKeyCHHFZGWLLKITIV-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
CID 55036583
1-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]cycloheptan-1-ol
CID 60728909
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-1-amine
CID 62109240
N-methyl-1-[1-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine
CID 62109244
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]ethanamine
CID 62109245
2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
CID 62109405
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
CID 62110414
N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]cyclopropanamine
CID 62111091
N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
CID 62111094
N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 62111422
N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
CID 62111423
N-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptan-1-amine
CID 64497917

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]cyclopropanamine (CID 62109404) is N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]cyclopropanamine is FC(F)(F)COC1(CNC2CC2)CCCCCC1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]cyclopropanamine?
The InChIKey is CHHFZGWLLKITIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c14-13(15,16)10-18-12(9-17-11-5-6-11)7-3-1-2-4-8-12/h11,17H,1-10H2.
What are the key properties of N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]cyclopropanamine?
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]cyclopropanamine has a molecular weight of 265.32 g/mol, XLogP of 3.41, 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]cyclopropanamine is sourced from PubChem (CID 62109404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).