1-[3,5-bis(trifluoromethyl)phenyl]-1-cyclobutylidene-N-(cyclohexylmethyl)methanamine

C20H23F6N — CID 143903092

IUPAC1-[3,5-bis(trifluoromethyl)phenyl]-1-cyclobutylidene-N-(cyclohexylmethyl)methanamine
SMILESFC(F)(F)c1cc(C(NCC2CCCCC2)=C2CCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C20H23F6N/c21-19(22,23)16-9-15(10-17(11-16)20(24,25)26)18(14-7-4-8-14)27-12-13-5-2-1-3-6-13/h9-11,13,27H,1-8,12H2
InChIKeyWWTKOBWJAUNTRU-UHFFFAOYSA-N
MW391.40 g/mol
LogP6.79
Rot. Bonds4

About 1-[3,5-bis(trifluoromethyl)phenyl]-1-cyclobutylidene-N-(cyclohexylmethyl)methanamine

1-[3,5-bis(trifluoromethyl)phenyl]-1-cyclobutylidene-N-(cyclohexylmethyl)methanamine (PubChem CID 143903092) has the molecular formula C20H23F6N and a molecular weight of 391.40 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)phenyl]-1-cyclobutylidene-N-(cyclohexylmethyl)methanamine.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)phenyl]-1-cyclobutylidene-N-(cyclohexylmethyl)methanamine
PubChem CID143903092
Molecular FormulaC20H23F6N
Molecular Weight391.40 g/mol
Exact Mass391.17
IUPAC Name1-[3,5-bis(trifluoromethyl)phenyl]-1-cyclobutylidene-N-(cyclohexylmethyl)methanamine
SMILESFC(F)(F)c1cc(C(NCC2CCCCC2)=C2CCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C20H23F6N/c21-19(22,23)16-9-15(10-17(11-16)20(24,25)26)18(14-7-4-8-14)27-12-13-5-2-1-3-6-13/h9-11,13,27H,1-8,12H2
InChIKeyWWTKOBWJAUNTRU-UHFFFAOYSA-N
XLogP6.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.40
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 123412557
N'-(2-cyclohexylacetyl)-3,5-bis(trifluoromethyl)benzohydrazide
CID 3977040
N-(piperidin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide
CID 119461836
methyl 2-[[[3,5-bis(trifluoromethyl)benzoyl]amino]methyl]cyclohexane-1-carboxylate
CID 108767618
2-[4-[[1-[3,5-bis(trifluoromethyl)phenyl]ethenylamino]methyl]piperidin-1-yl]acetonitrile
CID 89119758
N-[[4-[(2-hydroxyphenyl)methylamino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 44539487
N-[[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-(fluoromethyl)-5-(trifluoromethyl)benzamide
CID 67567698
3-hydroxy-N-[[(3S)-oxan-3-yl]methyl]-5-(trifluoromethyl)benzamide
CID 125420338
3-fluoro-N-[[(3R)-piperidin-3-yl]methyl]-5-(trifluoromethyl)benzamide
CID 99849672
N-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-3-amine
CID 90965106
[3,5-bis(trifluoromethyl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396545
3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide
CID 134422953

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-1-cyclobutylidene-N-(cyclohexylmethyl)methanamine?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-1-cyclobutylidene-N-(cyclohexylmethyl)methanamine (CID 143903092) is 1-[3,5-bis(trifluoromethyl)phenyl]-1-cyclobutylidene-N-(cyclohexylmethyl)methanamine.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)phenyl]-1-cyclobutylidene-N-(cyclohexylmethyl)methanamine?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)phenyl]-1-cyclobutylidene-N-(cyclohexylmethyl)methanamine is FC(F)(F)c1cc(C(NCC2CCCCC2)=C2CCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)phenyl]-1-cyclobutylidene-N-(cyclohexylmethyl)methanamine?
The InChIKey is WWTKOBWJAUNTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F6N/c21-19(22,23)16-9-15(10-17(11-16)20(24,25)26)18(14-7-4-8-14)27-12-13-5-2-1-3-6-13/h9-11,13,27H,1-8,12H2.
What are the key properties of 1-[3,5-bis(trifluoromethyl)phenyl]-1-cyclobutylidene-N-(cyclohexylmethyl)methanamine?
1-[3,5-bis(trifluoromethyl)phenyl]-1-cyclobutylidene-N-(cyclohexylmethyl)methanamine has a molecular weight of 391.40 g/mol, XLogP of 6.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)phenyl]-1-cyclobutylidene-N-(cyclohexylmethyl)methanamine is sourced from PubChem (CID 143903092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).