N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine

C15H28F3NO — CID 62108900

IUPACN-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(OCC(F)(F)F)CCC(C(C)C)CC1
InChIInChI=1S/C15H28F3NO/c1-11(2)13-5-7-14(8-6-13,9-19-12(3)4)20-10-15(16,17)18/h11-13,19H,5-10H2,1-4H3
InChIKeyOGIVOEVURLOUSJ-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.15
Rot. Bonds6

About N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine

N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine (PubChem CID 62108900) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
PubChem CID62108900
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC NameN-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(OCC(F)(F)F)CCC(C(C)C)CC1
InChIInChI=1S/C15H28F3NO/c1-11(2)13-5-7-14(8-6-13,9-19-12(3)4)20-10-15(16,17)18/h11-13,19H,5-10H2,1-4H3
InChIKeyOGIVOEVURLOUSJ-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine (CID 62108900) is N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine is CC(C)NCC1(OCC(F)(F)F)CCC(C(C)C)CC1.
What is the InChIKey of N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine?
The InChIKey is OGIVOEVURLOUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-11(2)13-5-7-14(8-6-13,9-19-12(3)4)20-10-15(16,17)18/h11-13,19H,5-10H2,1-4H3.
What are the key properties of N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine?
N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine has a molecular weight of 295.39 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 62108900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).