5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridin-3-amine

C14H17F3N2 — CID 175541408

IUPAC5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridin-3-amine
SMILESNc1cncc(/C=C/C2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C14H17F3N2/c15-14(16,17)12-5-3-10(4-6-12)1-2-11-7-13(18)9-19-8-11/h1-2,7-10,12H,3-6,18H2/b2-1+
InChIKeyLRTHICSTTSMBMD-OWOJBTEDSA-N
MW270.30 g/mol
LogP4.05
Rot. Bonds2

About 5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridin-3-amine

5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridin-3-amine (PubChem CID 175541408) has the molecular formula C14H17F3N2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridin-3-amine.

Molecular Properties

Compound Name5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridin-3-amine
PubChem CID175541408
Molecular FormulaC14H17F3N2
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridin-3-amine
SMILESNc1cncc(/C=C/C2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C14H17F3N2/c15-14(16,17)12-5-3-10(4-6-12)1-2-11-7-13(18)9-19-8-11/h1-2,7-10,12H,3-6,18H2/b2-1+
InChIKeyLRTHICSTTSMBMD-OWOJBTEDSA-N
XLogP4.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridin-3-amine?
The IUPAC name of 5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridin-3-amine (CID 175541408) is 5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridin-3-amine.
What is the SMILES notation for 5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridin-3-amine?
The canonical SMILES for 5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridin-3-amine is Nc1cncc(/C=C/C2CCC(C(F)(F)F)CC2)c1.
What is the InChIKey of 5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridin-3-amine?
The InChIKey is LRTHICSTTSMBMD-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H17F3N2/c15-14(16,17)12-5-3-10(4-6-12)1-2-11-7-13(18)9-19-8-11/h1-2,7-10,12H,3-6,18H2/b2-1+.
What are the key properties of 5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridin-3-amine?
5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridin-3-amine has a molecular weight of 270.30 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridin-3-amine is sourced from PubChem (CID 175541408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).