N-ethyl-5,5,5-trifluoro-1-(1-methoxycyclohexyl)pentan-1-amine

C14H26F3NO — CID 116763201

IUPACN-ethyl-5,5,5-trifluoro-1-(1-methoxycyclohexyl)pentan-1-amine
SMILESCCNC(CCCC(F)(F)F)C1(OC)CCCCC1
InChIInChI=1S/C14H26F3NO/c1-3-18-12(8-7-11-14(15,16)17)13(19-2)9-5-4-6-10-13/h12,18H,3-11H2,1-2H3
InChIKeyZQQJMKHCSVSHSX-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.05
Rot. Bonds7

About N-ethyl-5,5,5-trifluoro-1-(1-methoxycyclohexyl)pentan-1-amine

N-ethyl-5,5,5-trifluoro-1-(1-methoxycyclohexyl)pentan-1-amine (PubChem CID 116763201) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N-ethyl-5,5,5-trifluoro-1-(1-methoxycyclohexyl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-5,5,5-trifluoro-1-(1-methoxycyclohexyl)pentan-1-amine
PubChem CID116763201
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN-ethyl-5,5,5-trifluoro-1-(1-methoxycyclohexyl)pentan-1-amine
SMILESCCNC(CCCC(F)(F)F)C1(OC)CCCCC1
InChIInChI=1S/C14H26F3NO/c1-3-18-12(8-7-11-14(15,16)17)13(19-2)9-5-4-6-10-13/h12,18H,3-11H2,1-2H3
InChIKeyZQQJMKHCSVSHSX-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,5,5-trifluoro-1-(1-methoxycyclohexyl)pentan-1-amine?
The IUPAC name of N-ethyl-5,5,5-trifluoro-1-(1-methoxycyclohexyl)pentan-1-amine (CID 116763201) is N-ethyl-5,5,5-trifluoro-1-(1-methoxycyclohexyl)pentan-1-amine.
What is the SMILES notation for N-ethyl-5,5,5-trifluoro-1-(1-methoxycyclohexyl)pentan-1-amine?
The canonical SMILES for N-ethyl-5,5,5-trifluoro-1-(1-methoxycyclohexyl)pentan-1-amine is CCNC(CCCC(F)(F)F)C1(OC)CCCCC1.
What is the InChIKey of N-ethyl-5,5,5-trifluoro-1-(1-methoxycyclohexyl)pentan-1-amine?
The InChIKey is ZQQJMKHCSVSHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-3-18-12(8-7-11-14(15,16)17)13(19-2)9-5-4-6-10-13/h12,18H,3-11H2,1-2H3.
What are the key properties of N-ethyl-5,5,5-trifluoro-1-(1-methoxycyclohexyl)pentan-1-amine?
N-ethyl-5,5,5-trifluoro-1-(1-methoxycyclohexyl)pentan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,5,5-trifluoro-1-(1-methoxycyclohexyl)pentan-1-amine is sourced from PubChem (CID 116763201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).