N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine

C15H28F3NO — CID 81027904

IUPACN-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCC1CCCOCC(F)(F)F
InChIInChI=1S/C15H28F3NO/c1-2-9-19-11-14-7-4-3-6-13(14)8-5-10-20-12-15(16,17)18/h13-14,19H,2-12H2,1H3
InChIKeyJZPAQTPOQKLEDA-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.15
Rot. Bonds9

About N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine

N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine (PubChem CID 81027904) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine
PubChem CID81027904
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC NameN-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCC1CCCOCC(F)(F)F
InChIInChI=1S/C15H28F3NO/c1-2-9-19-11-14-7-4-3-6-13(14)8-5-10-20-12-15(16,17)18/h13-14,19H,2-12H2,1H3
InChIKeyJZPAQTPOQKLEDA-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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

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-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine (CID 81027904) is N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine is CCCNCC1CCCCC1CCCOCC(F)(F)F.
What is the InChIKey of N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine?
The InChIKey is JZPAQTPOQKLEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-2-9-19-11-14-7-4-3-6-13(14)8-5-10-20-12-15(16,17)18/h13-14,19H,2-12H2,1H3.
What are the key properties of N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine?
N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 81027904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).