[1-(azocan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine

C15H27F3N2 — CID 64757802

IUPAC[1-(azocan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
SMILESNCC1(N2CCCCCCC2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H27F3N2/c16-15(17,18)13-7-6-8-14(11-13,12-19)20-9-4-2-1-3-5-10-20/h13H,1-12,19H2
InChIKeyPIHPIZICNRJZPZ-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.70
Rot. Bonds2

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

[1-(azocan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 64757802) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is [1-(azocan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(azocan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID64757802
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC Name[1-(azocan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
SMILESNCC1(N2CCCCCCC2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H27F3N2/c16-15(17,18)13-7-6-8-14(11-13,12-19)20-9-4-2-1-3-5-10-20/h13H,1-12,19H2
InChIKeyPIHPIZICNRJZPZ-UHFFFAOYSA-N
XLogP3.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 115559280
[1-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64757805
[1-(2,6-dimethylmorpholin-4-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64759439
[1-(2-ethylpiperidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64758210
(3-methyl-1-pyrrolidin-1-ylcyclohexyl)methanamine
CID 24695310
(1-piperidin-1-ylcycloheptyl)methanamine
CID 24703148
[1-(azocan-1-yl)-3-methylcyclopentyl]methanamine
CID 64501768
(1-piperidin-1-ylcyclohexyl)methanamine;hydrochloride
CID 66570693
1-piperidin-1-yl-3-(trifluoromethyl)cyclohexane-1-carbonitrile
CID 64759069
cis-(1R,3R)-1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 95278571
[(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine
CID 118109110
[1-(4-propan-2-ylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 103494802

Frequently Asked Questions

What is the IUPAC name of [1-(azocan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of [1-(azocan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine (CID 64757802) is [1-(azocan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(azocan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(azocan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine is NCC1(N2CCCCCCC2)CCCC(C(F)(F)F)C1.
What is the InChIKey of [1-(azocan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is PIHPIZICNRJZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c16-15(17,18)13-7-6-8-14(11-13,12-19)20-9-4-2-1-3-5-10-20/h13H,1-12,19H2.
What are the key properties of [1-(azocan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine?
[1-(azocan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 292.39 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(azocan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 64757802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).