1-cyclohexyl-1-ethoxy-N-ethyl-5,5,5-trifluoropentan-2-amine

C15H28F3NO — CID 116772369

IUPAC1-cyclohexyl-1-ethoxy-N-ethyl-5,5,5-trifluoropentan-2-amine
SMILESCCNC(CCC(F)(F)F)C(OCC)C1CCCCC1
InChIInChI=1S/C15H28F3NO/c1-3-19-13(10-11-15(16,17)18)14(20-4-2)12-8-6-5-7-9-12/h12-14,19H,3-11H2,1-2H3
InChIKeyIIIUNQIFFIJNEI-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.29
Rot. Bonds8

About 1-cyclohexyl-1-ethoxy-N-ethyl-5,5,5-trifluoropentan-2-amine

1-cyclohexyl-1-ethoxy-N-ethyl-5,5,5-trifluoropentan-2-amine (PubChem CID 116772369) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-cyclohexyl-1-ethoxy-N-ethyl-5,5,5-trifluoropentan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-1-ethoxy-N-ethyl-5,5,5-trifluoropentan-2-amine
PubChem CID116772369
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC Name1-cyclohexyl-1-ethoxy-N-ethyl-5,5,5-trifluoropentan-2-amine
SMILESCCNC(CCC(F)(F)F)C(OCC)C1CCCCC1
InChIInChI=1S/C15H28F3NO/c1-3-19-13(10-11-15(16,17)18)14(20-4-2)12-8-6-5-7-9-12/h12-14,19H,3-11H2,1-2H3
InChIKeyIIIUNQIFFIJNEI-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

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Related Compounds

1-cyclohexyl-N-ethyl-5,5,5-trifluoro-1-methoxypentan-2-amine
CID 116771700
1-cyclopropyl-1-ethoxy-N-ethyldodecan-2-amine
CID 116723712
1-cyclohexyl-1-ethoxy-N-propylheptan-2-amine
CID 116772446
1-cyclopentyl-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 64565156
1-cyclopropyl-1-ethoxy-N-ethylhex-5-en-2-amine
CID 116723744
(1-cyclohexyl-3-cyclopentyl-1-ethoxypropan-2-yl)hydrazine
CID 105278814
1-cyclohexyl-N-ethyl-1-methoxyhept-6-yn-2-amine
CID 116771722
(1-cyclohexyl-1-ethoxynonan-2-yl)hydrazine
CID 105278827
(1-cyclohexyl-1-ethoxy-5-methoxypentan-2-yl)hydrazine
CID 105278914
1-cyclohexyl-1-ethoxy-N-methylhex-5-yn-2-amine
CID 116772242
2-cyclohexyl-1-cyclopentyl-2-ethoxyethanol
CID 116756693
1-cyclohexyl-3-ethoxy-N-ethylpentan-2-amine
CID 116717017

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-ethoxy-N-ethyl-5,5,5-trifluoropentan-2-amine?
The IUPAC name of 1-cyclohexyl-1-ethoxy-N-ethyl-5,5,5-trifluoropentan-2-amine (CID 116772369) is 1-cyclohexyl-1-ethoxy-N-ethyl-5,5,5-trifluoropentan-2-amine.
What is the SMILES notation for 1-cyclohexyl-1-ethoxy-N-ethyl-5,5,5-trifluoropentan-2-amine?
The canonical SMILES for 1-cyclohexyl-1-ethoxy-N-ethyl-5,5,5-trifluoropentan-2-amine is CCNC(CCC(F)(F)F)C(OCC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-ethoxy-N-ethyl-5,5,5-trifluoropentan-2-amine?
The InChIKey is IIIUNQIFFIJNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-3-19-13(10-11-15(16,17)18)14(20-4-2)12-8-6-5-7-9-12/h12-14,19H,3-11H2,1-2H3.
What are the key properties of 1-cyclohexyl-1-ethoxy-N-ethyl-5,5,5-trifluoropentan-2-amine?
1-cyclohexyl-1-ethoxy-N-ethyl-5,5,5-trifluoropentan-2-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 1-cyclohexyl-1-ethoxy-N-ethyl-5,5,5-trifluoropentan-2-amine is sourced from PubChem (CID 116772369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).