N-[pyrazin-2-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine

C14H20F3N3 — CID 105150002

IUPACN-[pyrazin-2-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
SMILESCCNC(c1cnccn1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H20F3N3/c1-2-19-13(12-9-18-7-8-20-12)10-3-5-11(6-4-10)14(15,16)17/h7-11,13,19H,2-6H2,1H3
InChIKeyKZPRVUBWTFSOJA-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.50
Rot. Bonds4

About N-[pyrazin-2-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine

N-[pyrazin-2-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine (PubChem CID 105150002) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-[pyrazin-2-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[pyrazin-2-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
PubChem CID105150002
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC NameN-[pyrazin-2-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
SMILESCCNC(c1cnccn1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H20F3N3/c1-2-19-13(12-9-18-7-8-20-12)10-3-5-11(6-4-10)14(15,16)17/h7-11,13,19H,2-6H2,1H3
InChIKeyKZPRVUBWTFSOJA-UHFFFAOYSA-N
XLogP3.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[pyrazin-2-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[pyrazin-2-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine (CID 105150002) is N-[pyrazin-2-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[pyrazin-2-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[pyrazin-2-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine is CCNC(c1cnccn1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[pyrazin-2-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The InChIKey is KZPRVUBWTFSOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-2-19-13(12-9-18-7-8-20-12)10-3-5-11(6-4-10)14(15,16)17/h7-11,13,19H,2-6H2,1H3.
What are the key properties of N-[pyrazin-2-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
N-[pyrazin-2-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine has a molecular weight of 287.33 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[pyrazin-2-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 105150002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).