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

C14H26F3NO — CID 62109405

IUPAC2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(OCC(F)(F)F)CCCCCC1
InChIInChI=1S/C14H26F3NO/c1-12(2,3)18-10-13(19-11-14(15,16)17)8-6-4-5-7-9-13/h18H,4-11H2,1-3H3
InChIKeyNDDOSIHJMHOKOA-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.05
Rot. Bonds4

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

2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine (PubChem CID 62109405) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
PubChem CID62109405
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(OCC(F)(F)F)CCCCCC1
InChIInChI=1S/C14H26F3NO/c1-12(2,3)18-10-13(19-11-14(15,16)17)8-6-4-5-7-9-13/h18H,4-11H2,1-3H3
InChIKeyNDDOSIHJMHOKOA-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine (CID 62109405) is 2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine is CC(C)(C)NCC1(OCC(F)(F)F)CCCCCC1.
What is the InChIKey of 2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine?
The InChIKey is NDDOSIHJMHOKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-12(2,3)18-10-13(19-11-14(15,16)17)8-6-4-5-7-9-13/h18H,4-11H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine?
2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine has a molecular weight of 281.36 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine is sourced from PubChem (CID 62109405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).