N-[1-(3-methylpyrazin-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine

C14H20F3N3 — CID 102612410

IUPACN-[1-(3-methylpyrazin-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1nccnc1C(C)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C14H20F3N3/c1-9-13(19-8-7-18-9)10(2)20-12-6-4-3-5-11(12)14(15,16)17/h7-8,10-12,20H,3-6H2,1-2H3
InChIKeyNPPFJJOVBNLHHD-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.56
Rot. Bonds3

About N-[1-(3-methylpyrazin-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine

N-[1-(3-methylpyrazin-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 102612410) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-[1-(3-methylpyrazin-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(3-methylpyrazin-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID102612410
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC NameN-[1-(3-methylpyrazin-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1nccnc1C(C)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C14H20F3N3/c1-9-13(19-8-7-18-9)10(2)20-12-6-4-3-5-11(12)14(15,16)17/h7-8,10-12,20H,3-6H2,1-2H3
InChIKeyNPPFJJOVBNLHHD-UHFFFAOYSA-N
XLogP3.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylpyrazin-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[1-(3-methylpyrazin-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine (CID 102612410) is N-[1-(3-methylpyrazin-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[1-(3-methylpyrazin-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[1-(3-methylpyrazin-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine is Cc1nccnc1C(C)NC1CCCCC1C(F)(F)F.
What is the InChIKey of N-[1-(3-methylpyrazin-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is NPPFJJOVBNLHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-9-13(19-8-7-18-9)10(2)20-12-6-4-3-5-11(12)14(15,16)17/h7-8,10-12,20H,3-6H2,1-2H3.
What are the key properties of N-[1-(3-methylpyrazin-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
N-[1-(3-methylpyrazin-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 287.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylpyrazin-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 102612410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).