N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine

C15H26F3NO — CID 62111423

IUPACN-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
SMILESCCCC1CCC(CNC2CC2)(OCC(F)(F)F)CC1
InChIInChI=1S/C15H26F3NO/c1-2-3-12-6-8-14(9-7-12,10-19-13-4-5-13)20-11-15(16,17)18/h12-13,19H,2-11H2,1H3
InChIKeyZPYDCUUCLFZBGL-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.05
Rot. Bonds7

About N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine

N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine (PubChem CID 62111423) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
PubChem CID62111423
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC NameN-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
SMILESCCCC1CCC(CNC2CC2)(OCC(F)(F)F)CC1
InChIInChI=1S/C15H26F3NO/c1-2-3-12-6-8-14(9-7-12,10-19-13-4-5-13)20-11-15(16,17)18/h12-13,19H,2-11H2,1H3
InChIKeyZPYDCUUCLFZBGL-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 149088087
CID 149088087
CID 156872282
CID 156872282
CID 55036583
CID 55036583
CID 55036775
CID 55036775
CID 55036776
CID 55036776
CID 55036821
CID 55036821
CID 62108898
CID 62108898
CID 62108899
CID 62108899
CID 62108900
CID 62108900
CID 62109071
CID 62109071
CID 62109072
CID 62109072
CID 62109243
CID 62109243

Frequently Asked Questions

What is the IUPAC name of N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine (CID 62111423) is N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine is CCCC1CCC(CNC2CC2)(OCC(F)(F)F)CC1.
What is the InChIKey of N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is ZPYDCUUCLFZBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-2-3-12-6-8-14(9-7-12,10-19-13-4-5-13)20-11-15(16,17)18/h12-13,19H,2-11H2,1H3.
What are the key properties of N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine?
N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 293.37 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 62111423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).