5,5,5-trifluoro-1-(1-methoxy-3-methylcyclohexyl)-N-methylpentan-1-amine

C14H26F3NO — CID 116767841

IUPAC5,5,5-trifluoro-1-(1-methoxy-3-methylcyclohexyl)-N-methylpentan-1-amine
SMILESCNC(CCCC(F)(F)F)C1(OC)CCCC(C)C1
InChIInChI=1S/C14H26F3NO/c1-11-6-4-8-13(10-11,19-3)12(18-2)7-5-9-14(15,16)17/h11-12,18H,4-10H2,1-3H3
InChIKeyIGZUKHZOUQYQKJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.90
Rot. Bonds6

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

5,5,5-trifluoro-1-(1-methoxy-3-methylcyclohexyl)-N-methylpentan-1-amine (PubChem CID 116767841) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(1-methoxy-3-methylcyclohexyl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(1-methoxy-3-methylcyclohexyl)-N-methylpentan-1-amine
PubChem CID116767841
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name5,5,5-trifluoro-1-(1-methoxy-3-methylcyclohexyl)-N-methylpentan-1-amine
SMILESCNC(CCCC(F)(F)F)C1(OC)CCCC(C)C1
InChIInChI=1S/C14H26F3NO/c1-11-6-4-8-13(10-11,19-3)12(18-2)7-5-9-14(15,16)17/h11-12,18H,4-10H2,1-3H3
InChIKeyIGZUKHZOUQYQKJ-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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 5,5,5-trifluoro-1-(1-methoxy-3-methylcyclohexyl)-N-methylpentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-1-(1-methoxy-3-methylcyclohexyl)-N-methylpentan-1-amine (CID 116767841) is 5,5,5-trifluoro-1-(1-methoxy-3-methylcyclohexyl)-N-methylpentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(1-methoxy-3-methylcyclohexyl)-N-methylpentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(1-methoxy-3-methylcyclohexyl)-N-methylpentan-1-amine is CNC(CCCC(F)(F)F)C1(OC)CCCC(C)C1.
What is the InChIKey of 5,5,5-trifluoro-1-(1-methoxy-3-methylcyclohexyl)-N-methylpentan-1-amine?
The InChIKey is IGZUKHZOUQYQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-11-6-4-8-13(10-11,19-3)12(18-2)7-5-9-14(15,16)17/h11-12,18H,4-10H2,1-3H3.
What are the key properties of 5,5,5-trifluoro-1-(1-methoxy-3-methylcyclohexyl)-N-methylpentan-1-amine?
5,5,5-trifluoro-1-(1-methoxy-3-methylcyclohexyl)-N-methylpentan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.90, 6 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)-N-methylpentan-1-amine is sourced from PubChem (CID 116767841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).