N-[pyrazin-2-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine

C15H22F3N3 — CID 105150072

IUPACN-[pyrazin-2-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNC(c1cnccn1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H22F3N3/c1-2-7-21-14(13-10-19-8-9-20-13)11-5-3-4-6-12(11)15(16,17)18/h8-12,14,21H,2-7H2,1H3
InChIKeyBLEIVNODPAZJHP-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.89
Rot. Bonds5

About N-[pyrazin-2-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine

N-[pyrazin-2-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 105150072) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is N-[pyrazin-2-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[pyrazin-2-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
PubChem CID105150072
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC NameN-[pyrazin-2-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNC(c1cnccn1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H22F3N3/c1-2-7-21-14(13-10-19-8-9-20-13)11-5-3-4-6-12(11)15(16,17)18/h8-12,14,21H,2-7H2,1H3
InChIKeyBLEIVNODPAZJHP-UHFFFAOYSA-N
XLogP3.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.89
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-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[pyrazin-2-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine (CID 105150072) is N-[pyrazin-2-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[pyrazin-2-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[pyrazin-2-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine is CCCNC(c1cnccn1)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-[pyrazin-2-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is BLEIVNODPAZJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c1-2-7-21-14(13-10-19-8-9-20-13)11-5-3-4-6-12(11)15(16,17)18/h8-12,14,21H,2-7H2,1H3.
What are the key properties of N-[pyrazin-2-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
N-[pyrazin-2-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 301.36 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[pyrazin-2-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 105150072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).