2-[[(6-chloropyrazin-2-yl)-cyclohexylamino]methyl]cyclohexan-1-ol

C17H26ClN3O — CID 10336345

IUPAC2-[[(6-chloropyrazin-2-yl)-cyclohexylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CN(c1cncc(Cl)n1)C1CCCCC1
InChIInChI=1S/C17H26ClN3O/c18-16-10-19-11-17(20-16)21(14-7-2-1-3-8-14)12-13-6-4-5-9-15(13)22/h10-11,13-15,22H,1-9,12H2
InChIKeyYIFFLNPEOSAHTG-UHFFFAOYSA-N
MW323.87 g/mol
LogP3.82
Rot. Bonds4

About 2-[[(6-chloropyrazin-2-yl)-cyclohexylamino]methyl]cyclohexan-1-ol

2-[[(6-chloropyrazin-2-yl)-cyclohexylamino]methyl]cyclohexan-1-ol (PubChem CID 10336345) has the molecular formula C17H26ClN3O and a molecular weight of 323.87 g/mol. Its IUPAC name is 2-[[(6-chloropyrazin-2-yl)-cyclohexylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(6-chloropyrazin-2-yl)-cyclohexylamino]methyl]cyclohexan-1-ol
PubChem CID10336345
Molecular FormulaC17H26ClN3O
Molecular Weight323.87 g/mol
Exact Mass323.18
IUPAC Name2-[[(6-chloropyrazin-2-yl)-cyclohexylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CN(c1cncc(Cl)n1)C1CCCCC1
InChIInChI=1S/C17H26ClN3O/c18-16-10-19-11-17(20-16)21(14-7-2-1-3-8-14)12-13-6-4-5-9-15(13)22/h10-11,13-15,22H,1-9,12H2
InChIKeyYIFFLNPEOSAHTG-UHFFFAOYSA-N
XLogP3.82
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(6-chloropyrazin-2-yl)-cyclohexylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(6-chloropyrazin-2-yl)-cyclohexylamino]methyl]cyclohexan-1-ol (CID 10336345) is 2-[[(6-chloropyrazin-2-yl)-cyclohexylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(6-chloropyrazin-2-yl)-cyclohexylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(6-chloropyrazin-2-yl)-cyclohexylamino]methyl]cyclohexan-1-ol is OC1CCCCC1CN(c1cncc(Cl)n1)C1CCCCC1.
What is the InChIKey of 2-[[(6-chloropyrazin-2-yl)-cyclohexylamino]methyl]cyclohexan-1-ol?
The InChIKey is YIFFLNPEOSAHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O/c18-16-10-19-11-17(20-16)21(14-7-2-1-3-8-14)12-13-6-4-5-9-15(13)22/h10-11,13-15,22H,1-9,12H2.
What are the key properties of 2-[[(6-chloropyrazin-2-yl)-cyclohexylamino]methyl]cyclohexan-1-ol?
2-[[(6-chloropyrazin-2-yl)-cyclohexylamino]methyl]cyclohexan-1-ol has a molecular weight of 323.87 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-chloropyrazin-2-yl)-cyclohexylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 10336345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).