N-[(4,4-difluorocyclohexyl)-pyrazin-2-ylmethyl]ethanamine

C13H19F2N3 — CID 105149977

IUPACN-[(4,4-difluorocyclohexyl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1cnccn1)C1CCC(F)(F)CC1
InChIInChI=1S/C13H19F2N3/c1-2-17-12(11-9-16-7-8-18-11)10-3-5-13(14,15)6-4-10/h7-10,12,17H,2-6H2,1H3
InChIKeyYIYXGWDHGANCJB-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.95
Rot. Bonds4

About N-[(4,4-difluorocyclohexyl)-pyrazin-2-ylmethyl]ethanamine

N-[(4,4-difluorocyclohexyl)-pyrazin-2-ylmethyl]ethanamine (PubChem CID 105149977) has the molecular formula C13H19F2N3 and a molecular weight of 255.31 g/mol. Its IUPAC name is N-[(4,4-difluorocyclohexyl)-pyrazin-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4,4-difluorocyclohexyl)-pyrazin-2-ylmethyl]ethanamine
PubChem CID105149977
Molecular FormulaC13H19F2N3
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC NameN-[(4,4-difluorocyclohexyl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1cnccn1)C1CCC(F)(F)CC1
InChIInChI=1S/C13H19F2N3/c1-2-17-12(11-9-16-7-8-18-11)10-3-5-13(14,15)6-4-10/h7-10,12,17H,2-6H2,1H3
InChIKeyYIYXGWDHGANCJB-UHFFFAOYSA-N
XLogP2.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluorocyclohexyl)-pyrazin-2-ylmethyl]ethanamine?
The IUPAC name of N-[(4,4-difluorocyclohexyl)-pyrazin-2-ylmethyl]ethanamine (CID 105149977) is N-[(4,4-difluorocyclohexyl)-pyrazin-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4,4-difluorocyclohexyl)-pyrazin-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(4,4-difluorocyclohexyl)-pyrazin-2-ylmethyl]ethanamine is CCNC(c1cnccn1)C1CCC(F)(F)CC1.
What is the InChIKey of N-[(4,4-difluorocyclohexyl)-pyrazin-2-ylmethyl]ethanamine?
The InChIKey is YIYXGWDHGANCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3/c1-2-17-12(11-9-16-7-8-18-11)10-3-5-13(14,15)6-4-10/h7-10,12,17H,2-6H2,1H3.
What are the key properties of N-[(4,4-difluorocyclohexyl)-pyrazin-2-ylmethyl]ethanamine?
N-[(4,4-difluorocyclohexyl)-pyrazin-2-ylmethyl]ethanamine has a molecular weight of 255.31 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluorocyclohexyl)-pyrazin-2-ylmethyl]ethanamine is sourced from PubChem (CID 105149977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).