N-(2-cyclohexylethyl)-5,6-dimethylpyrazin-2-amine

C14H23N3 — CID 114475372

IUPACN-(2-cyclohexylethyl)-5,6-dimethylpyrazin-2-amine
SMILESCc1ncc(NCCC2CCCCC2)nc1C
InChIInChI=1S/C14H23N3/c1-11-12(2)17-14(10-16-11)15-9-8-13-6-4-3-5-7-13/h10,13H,3-9H2,1-2H3,(H,15,17)
InChIKeyPCSWGZFFKNFJLK-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.48
Rot. Bonds4

About N-(2-cyclohexylethyl)-5,6-dimethylpyrazin-2-amine

N-(2-cyclohexylethyl)-5,6-dimethylpyrazin-2-amine (PubChem CID 114475372) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-5,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-5,6-dimethylpyrazin-2-amine
PubChem CID114475372
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-(2-cyclohexylethyl)-5,6-dimethylpyrazin-2-amine
SMILESCc1ncc(NCCC2CCCCC2)nc1C
InChIInChI=1S/C14H23N3/c1-11-12(2)17-14(10-16-11)15-9-8-13-6-4-3-5-7-13/h10,13H,3-9H2,1-2H3,(H,15,17)
InChIKeyPCSWGZFFKNFJLK-UHFFFAOYSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-5,6-dimethylpyrazin-2-amine?
The IUPAC name of N-(2-cyclohexylethyl)-5,6-dimethylpyrazin-2-amine (CID 114475372) is N-(2-cyclohexylethyl)-5,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-(2-cyclohexylethyl)-5,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-(2-cyclohexylethyl)-5,6-dimethylpyrazin-2-amine is Cc1ncc(NCCC2CCCCC2)nc1C.
What is the InChIKey of N-(2-cyclohexylethyl)-5,6-dimethylpyrazin-2-amine?
The InChIKey is PCSWGZFFKNFJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11-12(2)17-14(10-16-11)15-9-8-13-6-4-3-5-7-13/h10,13H,3-9H2,1-2H3,(H,15,17).
What are the key properties of N-(2-cyclohexylethyl)-5,6-dimethylpyrazin-2-amine?
N-(2-cyclohexylethyl)-5,6-dimethylpyrazin-2-amine has a molecular weight of 233.36 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-5,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 114475372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).