N-(3-cyclohexyloxypropyl)-6,6,6-trifluorohexan-2-amine

C15H28F3NO — CID 116534145

IUPACN-(3-cyclohexyloxypropyl)-6,6,6-trifluorohexan-2-amine
SMILESCC(CCCC(F)(F)F)NCCCOC1CCCCC1
InChIInChI=1S/C15H28F3NO/c1-13(7-5-10-15(16,17)18)19-11-6-12-20-14-8-3-2-4-9-14/h13-14,19H,2-12H2,1H3
InChIKeyZPGCKYDKDIUHGK-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.44
Rot. Bonds9

About N-(3-cyclohexyloxypropyl)-6,6,6-trifluorohexan-2-amine

N-(3-cyclohexyloxypropyl)-6,6,6-trifluorohexan-2-amine (PubChem CID 116534145) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-6,6,6-trifluorohexan-2-amine.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-6,6,6-trifluorohexan-2-amine
PubChem CID116534145
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC NameN-(3-cyclohexyloxypropyl)-6,6,6-trifluorohexan-2-amine
SMILESCC(CCCC(F)(F)F)NCCCOC1CCCCC1
InChIInChI=1S/C15H28F3NO/c1-13(7-5-10-15(16,17)18)19-11-6-12-20-14-8-3-2-4-9-14/h13-14,19H,2-12H2,1H3
InChIKeyZPGCKYDKDIUHGK-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
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-(3-cyclohexyloxypropyl)-6,6,6-trifluorohexan-2-amine?
The IUPAC name of N-(3-cyclohexyloxypropyl)-6,6,6-trifluorohexan-2-amine (CID 116534145) is N-(3-cyclohexyloxypropyl)-6,6,6-trifluorohexan-2-amine.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-6,6,6-trifluorohexan-2-amine?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-6,6,6-trifluorohexan-2-amine is CC(CCCC(F)(F)F)NCCCOC1CCCCC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-6,6,6-trifluorohexan-2-amine?
The InChIKey is ZPGCKYDKDIUHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-13(7-5-10-15(16,17)18)19-11-6-12-20-14-8-3-2-4-9-14/h13-14,19H,2-12H2,1H3.
What are the key properties of N-(3-cyclohexyloxypropyl)-6,6,6-trifluorohexan-2-amine?
N-(3-cyclohexyloxypropyl)-6,6,6-trifluorohexan-2-amine has a molecular weight of 295.39 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-6,6,6-trifluorohexan-2-amine is sourced from PubChem (CID 116534145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).