[1-(2-ethylpiperidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine

C15H27F3N2 — CID 64758210

IUPAC[1-(2-ethylpiperidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
SMILESCCC1CCCCN1C1(CN)CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H27F3N2/c1-2-13-7-3-4-9-20(13)14(11-19)8-5-6-12(10-14)15(16,17)18/h12-13H,2-11,19H2,1H3
InChIKeyZTOQXGOLUGZZCB-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.70
Rot. Bonds3

About [1-(2-ethylpiperidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine

[1-(2-ethylpiperidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 64758210) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is [1-(2-ethylpiperidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-ethylpiperidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID64758210
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC Name[1-(2-ethylpiperidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
SMILESCCC1CCCCN1C1(CN)CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H27F3N2/c1-2-13-7-3-4-9-20(13)14(11-19)8-5-6-12(10-14)15(16,17)18/h12-13H,2-11,19H2,1H3
InChIKeyZTOQXGOLUGZZCB-UHFFFAOYSA-N
XLogP3.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylpiperidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of [1-(2-ethylpiperidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine (CID 64758210) is [1-(2-ethylpiperidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2-ethylpiperidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(2-ethylpiperidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine is CCC1CCCCN1C1(CN)CCCC(C(F)(F)F)C1.
What is the InChIKey of [1-(2-ethylpiperidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is ZTOQXGOLUGZZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-2-13-7-3-4-9-20(13)14(11-19)8-5-6-12(10-14)15(16,17)18/h12-13H,2-11,19H2,1H3.
What are the key properties of [1-(2-ethylpiperidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine?
[1-(2-ethylpiperidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 292.39 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylpiperidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 64758210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).