1-cyclohexyl-1-ethoxy-5,5,5-trifluoro-N-methylpentan-2-amine

C14H26F3NO — CID 116772219

IUPAC1-cyclohexyl-1-ethoxy-5,5,5-trifluoro-N-methylpentan-2-amine
SMILESCCOC(C1CCCCC1)C(CCC(F)(F)F)NC
InChIInChI=1S/C14H26F3NO/c1-3-19-13(11-7-5-4-6-8-11)12(18-2)9-10-14(15,16)17/h11-13,18H,3-10H2,1-2H3
InChIKeyMYQHHSVTRDIOSD-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.90
Rot. Bonds7

About 1-cyclohexyl-1-ethoxy-5,5,5-trifluoro-N-methylpentan-2-amine

1-cyclohexyl-1-ethoxy-5,5,5-trifluoro-N-methylpentan-2-amine (PubChem CID 116772219) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-cyclohexyl-1-ethoxy-5,5,5-trifluoro-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-1-ethoxy-5,5,5-trifluoro-N-methylpentan-2-amine
PubChem CID116772219
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name1-cyclohexyl-1-ethoxy-5,5,5-trifluoro-N-methylpentan-2-amine
SMILESCCOC(C1CCCCC1)C(CCC(F)(F)F)NC
InChIInChI=1S/C14H26F3NO/c1-3-19-13(11-7-5-4-6-8-11)12(18-2)9-10-14(15,16)17/h11-13,18H,3-10H2,1-2H3
InChIKeyMYQHHSVTRDIOSD-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-ethoxy-5,5,5-trifluoro-N-methylpentan-2-amine?
The IUPAC name of 1-cyclohexyl-1-ethoxy-5,5,5-trifluoro-N-methylpentan-2-amine (CID 116772219) is 1-cyclohexyl-1-ethoxy-5,5,5-trifluoro-N-methylpentan-2-amine.
What is the SMILES notation for 1-cyclohexyl-1-ethoxy-5,5,5-trifluoro-N-methylpentan-2-amine?
The canonical SMILES for 1-cyclohexyl-1-ethoxy-5,5,5-trifluoro-N-methylpentan-2-amine is CCOC(C1CCCCC1)C(CCC(F)(F)F)NC.
What is the InChIKey of 1-cyclohexyl-1-ethoxy-5,5,5-trifluoro-N-methylpentan-2-amine?
The InChIKey is MYQHHSVTRDIOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-3-19-13(11-7-5-4-6-8-11)12(18-2)9-10-14(15,16)17/h11-13,18H,3-10H2,1-2H3.
What are the key properties of 1-cyclohexyl-1-ethoxy-5,5,5-trifluoro-N-methylpentan-2-amine?
1-cyclohexyl-1-ethoxy-5,5,5-trifluoro-N-methylpentan-2-amine has a molecular weight of 281.36 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-ethoxy-5,5,5-trifluoro-N-methylpentan-2-amine is sourced from PubChem (CID 116772219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).