1-(4,4-difluorocyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine

C12H17F2N3 — CID 105150095

IUPAC1-(4,4-difluorocyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine
SMILESCNC(c1cnccn1)C1CCC(F)(F)CC1
InChIInChI=1S/C12H17F2N3/c1-15-11(10-8-16-6-7-17-10)9-2-4-12(13,14)5-3-9/h6-9,11,15H,2-5H2,1H3
InChIKeyFGDPWELVCIBXLX-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.56
Rot. Bonds3

About 1-(4,4-difluorocyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine

1-(4,4-difluorocyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine (PubChem CID 105150095) has the molecular formula C12H17F2N3 and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine
PubChem CID105150095
Molecular FormulaC12H17F2N3
Molecular Weight241.28 g/mol
Exact Mass241.14
IUPAC Name1-(4,4-difluorocyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine
SMILESCNC(c1cnccn1)C1CCC(F)(F)CC1
InChIInChI=1S/C12H17F2N3/c1-15-11(10-8-16-6-7-17-10)9-2-4-12(13,14)5-3-9/h6-9,11,15H,2-5H2,1H3
InChIKeyFGDPWELVCIBXLX-UHFFFAOYSA-N
XLogP2.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine (CID 105150095) is 1-(4,4-difluorocyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine is CNC(c1cnccn1)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine?
The InChIKey is FGDPWELVCIBXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3/c1-15-11(10-8-16-6-7-17-10)9-2-4-12(13,14)5-3-9/h6-9,11,15H,2-5H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine?
1-(4,4-difluorocyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine has a molecular weight of 241.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine is sourced from PubChem (CID 105150095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).