5,5,5-trifluoro-1-(1-methoxy-3-methylcyclohexyl)pentan-1-amine

C13H24F3NO — CID 116767590

IUPAC5,5,5-trifluoro-1-(1-methoxy-3-methylcyclohexyl)pentan-1-amine
SMILESCOC1(C(N)CCCC(F)(F)F)CCCC(C)C1
InChIInChI=1S/C13H24F3NO/c1-10-5-3-7-12(9-10,18-2)11(17)6-4-8-13(14,15)16/h10-11H,3-9,17H2,1-2H3
InChIKeyHRKIVYFMSATVKB-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.64
Rot. Bonds5

About 5,5,5-trifluoro-1-(1-methoxy-3-methylcyclohexyl)pentan-1-amine

5,5,5-trifluoro-1-(1-methoxy-3-methylcyclohexyl)pentan-1-amine (PubChem CID 116767590) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(1-methoxy-3-methylcyclohexyl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(1-methoxy-3-methylcyclohexyl)pentan-1-amine
PubChem CID116767590
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name5,5,5-trifluoro-1-(1-methoxy-3-methylcyclohexyl)pentan-1-amine
SMILESCOC1(C(N)CCCC(F)(F)F)CCCC(C)C1
InChIInChI=1S/C13H24F3NO/c1-10-5-3-7-12(9-10,18-2)11(17)6-4-8-13(14,15)16/h10-11H,3-9,17H2,1-2H3
InChIKeyHRKIVYFMSATVKB-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(1-methoxy-3-methylcyclohexyl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-1-(1-methoxy-3-methylcyclohexyl)pentan-1-amine (CID 116767590) is 5,5,5-trifluoro-1-(1-methoxy-3-methylcyclohexyl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(1-methoxy-3-methylcyclohexyl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(1-methoxy-3-methylcyclohexyl)pentan-1-amine is COC1(C(N)CCCC(F)(F)F)CCCC(C)C1.
What is the InChIKey of 5,5,5-trifluoro-1-(1-methoxy-3-methylcyclohexyl)pentan-1-amine?
The InChIKey is HRKIVYFMSATVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-10-5-3-7-12(9-10,18-2)11(17)6-4-8-13(14,15)16/h10-11H,3-9,17H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-1-(1-methoxy-3-methylcyclohexyl)pentan-1-amine?
5,5,5-trifluoro-1-(1-methoxy-3-methylcyclohexyl)pentan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(1-methoxy-3-methylcyclohexyl)pentan-1-amine is sourced from PubChem (CID 116767590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).