N-(2-chlorocyclohexyl)-3,6-dimethylpyrazin-2-amine

C12H18ClN3 — CID 65029238

IUPACN-(2-chlorocyclohexyl)-3,6-dimethylpyrazin-2-amine
SMILESCc1cnc(C)c(NC2CCCCC2Cl)n1
InChIInChI=1S/C12H18ClN3/c1-8-7-14-9(2)12(15-8)16-11-6-4-3-5-10(11)13/h7,10-11H,3-6H2,1-2H3,(H,15,16)
InChIKeyRPIOOPKRAGRFAR-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.06
Rot. Bonds2

About N-(2-chlorocyclohexyl)-3,6-dimethylpyrazin-2-amine

N-(2-chlorocyclohexyl)-3,6-dimethylpyrazin-2-amine (PubChem CID 65029238) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-3,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-3,6-dimethylpyrazin-2-amine
PubChem CID65029238
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC NameN-(2-chlorocyclohexyl)-3,6-dimethylpyrazin-2-amine
SMILESCc1cnc(C)c(NC2CCCCC2Cl)n1
InChIInChI=1S/C12H18ClN3/c1-8-7-14-9(2)12(15-8)16-11-6-4-3-5-10(11)13/h7,10-11H,3-6H2,1-2H3,(H,15,16)
InChIKeyRPIOOPKRAGRFAR-UHFFFAOYSA-N
XLogP3.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-3,6-dimethylpyrazin-2-amine?
The IUPAC name of N-(2-chlorocyclohexyl)-3,6-dimethylpyrazin-2-amine (CID 65029238) is N-(2-chlorocyclohexyl)-3,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-(2-chlorocyclohexyl)-3,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-(2-chlorocyclohexyl)-3,6-dimethylpyrazin-2-amine is Cc1cnc(C)c(NC2CCCCC2Cl)n1.
What is the InChIKey of N-(2-chlorocyclohexyl)-3,6-dimethylpyrazin-2-amine?
The InChIKey is RPIOOPKRAGRFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-8-7-14-9(2)12(15-8)16-11-6-4-3-5-10(11)13/h7,10-11H,3-6H2,1-2H3,(H,15,16).
What are the key properties of N-(2-chlorocyclohexyl)-3,6-dimethylpyrazin-2-amine?
N-(2-chlorocyclohexyl)-3,6-dimethylpyrazin-2-amine has a molecular weight of 239.75 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-3,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 65029238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).