N-ethyl-5-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)pyridin-2-amine

C23H33F3N2 — CID 100994058

IUPACN-ethyl-5-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)pyridin-2-amine
SMILESCCCC1CCC(C2CC=C(c3ccc(N(CC)C(F)(F)F)nc3)CC2)CC1
InChIInChI=1S/C23H33F3N2/c1-3-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-22(27-16-21)28(4-2)23(24,25)26/h12,14-19H,3-11,13H2,1-2H3
InChIKeyJFIYOWRRYVQWFY-UHFFFAOYSA-N
MW394.53 g/mol
LogP7.22
Rot. Bonds6

About N-ethyl-5-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)pyridin-2-amine

N-ethyl-5-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)pyridin-2-amine (PubChem CID 100994058) has the molecular formula C23H33F3N2 and a molecular weight of 394.53 g/mol. Its IUPAC name is N-ethyl-5-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)pyridin-2-amine
PubChem CID100994058
Molecular FormulaC23H33F3N2
Molecular Weight394.53 g/mol
Exact Mass394.26
IUPAC NameN-ethyl-5-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)pyridin-2-amine
SMILESCCCC1CCC(C2CC=C(c3ccc(N(CC)C(F)(F)F)nc3)CC2)CC1
InChIInChI=1S/C23H33F3N2/c1-3-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-22(27-16-21)28(4-2)23(24,25)26/h12,14-19H,3-11,13H2,1-2H3
InChIKeyJFIYOWRRYVQWFY-UHFFFAOYSA-N
XLogP7.22
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.53
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene
CID 126551449
1-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexen-1-yl]benzene
CID 70499884
1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 601618
2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-1-(trifluoromethoxy)benzene
CID 165341497
1,2,3-trifluoro-5-[(4R)-4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 86326322
1-bromo-4-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]benzene
CID 141297711
4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1,2-difluorobenzene
CID 102396639
1-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 67739856
4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1-fluoro-2-(trifluoromethyl)benzene
CID 139779201
pentakis(4-[4-(4-heptylcyclohexyl)cyclohexen-1-yl]benzenethiol);pentahydrofluoride
CID 173376232
2-fluoro-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene
CID 139779236
2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]-1-(trifluoromethyl)benzene
CID 139779196

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-ethyl-5-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)pyridin-2-amine (CID 100994058) is N-ethyl-5-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-5-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-5-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)pyridin-2-amine is CCCC1CCC(C2CC=C(c3ccc(N(CC)C(F)(F)F)nc3)CC2)CC1.
What is the InChIKey of N-ethyl-5-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)pyridin-2-amine?
The InChIKey is JFIYOWRRYVQWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33F3N2/c1-3-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-22(27-16-21)28(4-2)23(24,25)26/h12,14-19H,3-11,13H2,1-2H3.
What are the key properties of N-ethyl-5-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)pyridin-2-amine?
N-ethyl-5-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)pyridin-2-amine has a molecular weight of 394.53 g/mol, XLogP of 7.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 100994058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).