N-methyl-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine

C14H26F3NO — CID 81026070

IUPACN-methyl-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
SMILESCNCC1CCC(C)CC1CCCOCC(F)(F)F
InChIInChI=1S/C14H26F3NO/c1-11-5-6-13(9-18-2)12(8-11)4-3-7-19-10-14(15,16)17/h11-13,18H,3-10H2,1-2H3
InChIKeyUOPUMHZRLGSNJV-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.62
Rot. Bonds7

About N-methyl-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine

N-methyl-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine (PubChem CID 81026070) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
PubChem CID81026070
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN-methyl-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
SMILESCNCC1CCC(C)CC1CCCOCC(F)(F)F
InChIInChI=1S/C14H26F3NO/c1-11-5-6-13(9-18-2)12(8-11)4-3-7-19-10-14(15,16)17/h11-13,18H,3-10H2,1-2H3
InChIKeyUOPUMHZRLGSNJV-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine (CID 81026070) is N-methyl-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine is CNCC1CCC(C)CC1CCCOCC(F)(F)F.
What is the InChIKey of N-methyl-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
The InChIKey is UOPUMHZRLGSNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-11-5-6-13(9-18-2)12(8-11)4-3-7-19-10-14(15,16)17/h11-13,18H,3-10H2,1-2H3.
What are the key properties of N-methyl-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
N-methyl-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine has a molecular weight of 281.36 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine is sourced from PubChem (CID 81026070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).