N-[[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine

C13H22F3NO — CID 62110609

IUPACN-[[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
SMILESCC1CCCC(CNC2CC2)(OCC(F)(F)F)C1
InChIInChI=1S/C13H22F3NO/c1-10-3-2-6-12(7-10,8-17-11-4-5-11)18-9-13(14,15)16/h10-11,17H,2-9H2,1H3
InChIKeyHYDUYOIJQRYYOU-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.27
Rot. Bonds5

About N-[[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine

N-[[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine (PubChem CID 62110609) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
PubChem CID62110609
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC NameN-[[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
SMILESCC1CCCC(CNC2CC2)(OCC(F)(F)F)C1
InChIInChI=1S/C13H22F3NO/c1-10-3-2-6-12(7-10,8-17-11-4-5-11)18-9-13(14,15)16/h10-11,17H,2-9H2,1H3
InChIKeyHYDUYOIJQRYYOU-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine (CID 62110609) is N-[[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine is CC1CCCC(CNC2CC2)(OCC(F)(F)F)C1.
What is the InChIKey of N-[[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is HYDUYOIJQRYYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-10-3-2-6-12(7-10,8-17-11-4-5-11)18-9-13(14,15)16/h10-11,17H,2-9H2,1H3.
What are the key properties of N-[[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine?
N-[[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 265.32 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 62110609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).