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

C13H24F3NO — CID 55036821

IUPACN-methyl-1-[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
SMILESCCCC1CCC(CNC)(OCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-3-4-11-5-7-12(8-6-11,9-17-2)18-10-13(14,15)16/h11,17H,3-10H2,1-2H3
InChIKeyGZNFFELABAWYEL-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.51
Rot. Bonds6

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

N-methyl-1-[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine (PubChem CID 55036821) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is N-methyl-1-[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
PubChem CID55036821
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC NameN-methyl-1-[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
SMILESCCCC1CCC(CNC)(OCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-3-4-11-5-7-12(8-6-11,9-17-2)18-10-13(14,15)16/h11,17H,3-10H2,1-2H3
InChIKeyGZNFFELABAWYEL-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine (CID 55036821) is N-methyl-1-[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine is CCCC1CCC(CNC)(OCC(F)(F)F)CC1.
What is the InChIKey of N-methyl-1-[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The InChIKey is GZNFFELABAWYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-3-4-11-5-7-12(8-6-11,9-17-2)18-10-13(14,15)16/h11,17H,3-10H2,1-2H3.
What are the key properties of N-methyl-1-[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
N-methyl-1-[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine has a molecular weight of 267.33 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 55036821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).