N-[(5-methylpyrazin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

C13H18F3N3 — CID 64757597

IUPACN-[(5-methylpyrazin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1cnc(CNC2CCCC(C(F)(F)F)C2)cn1
InChIInChI=1S/C13H18F3N3/c1-9-6-18-12(7-17-9)8-19-11-4-2-3-10(5-11)13(14,15)16/h6-7,10-11,19H,2-5,8H2,1H3
InChIKeyINVJLOGTROVVHD-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.00
Rot. Bonds3

About N-[(5-methylpyrazin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

N-[(5-methylpyrazin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64757597) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64757597
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1cnc(CNC2CCCC(C(F)(F)F)C2)cn1
InChIInChI=1S/C13H18F3N3/c1-9-6-18-12(7-17-9)8-19-11-4-2-3-10(5-11)13(14,15)16/h6-7,10-11,19H,2-5,8H2,1H3
InChIKeyINVJLOGTROVVHD-UHFFFAOYSA-N
XLogP3.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 64757597) is N-[(5-methylpyrazin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is Cc1cnc(CNC2CCCC(C(F)(F)F)C2)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is INVJLOGTROVVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c1-9-6-18-12(7-17-9)8-19-11-4-2-3-10(5-11)13(14,15)16/h6-7,10-11,19H,2-5,8H2,1H3.
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
N-[(5-methylpyrazin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 273.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64757597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).