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

C15H28F3NO — CID 63473959

IUPACN-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(OCC(F)(F)F)CCC(CCC)CC1
InChIInChI=1S/C15H28F3NO/c1-3-5-13-6-8-14(9-7-13,11-19-10-4-2)20-12-15(16,17)18/h13,19H,3-12H2,1-2H3
InChIKeyLZSAMLFBPZDGAU-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.29
Rot. Bonds8

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

N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine (PubChem CID 63473959) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
PubChem CID63473959
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC NameN-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(OCC(F)(F)F)CCC(CCC)CC1
InChIInChI=1S/C15H28F3NO/c1-3-5-13-6-8-14(9-7-13,11-19-10-4-2)20-12-15(16,17)18/h13,19H,3-12H2,1-2H3
InChIKeyLZSAMLFBPZDGAU-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.29
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-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine (CID 63473959) is N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine is CCCNCC1(OCC(F)(F)F)CCC(CCC)CC1.
What is the InChIKey of N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine?
The InChIKey is LZSAMLFBPZDGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-3-5-13-6-8-14(9-7-13,11-19-10-4-2)20-12-15(16,17)18/h13,19H,3-12H2,1-2H3.
What are the key properties of N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine?
N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 63473959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).