2-N-cyclooctyl-6-N-methylpyrazine-2,6-diamine

C13H22N4 — CID 80785345

IUPAC2-N-cyclooctyl-6-N-methylpyrazine-2,6-diamine
SMILESCNc1cncc(NC2CCCCCCC2)n1
InChIInChI=1S/C13H22N4/c1-14-12-9-15-10-13(17-12)16-11-7-5-3-2-4-6-8-11/h9-11H,2-8H2,1H3,(H2,14,16,17)
InChIKeySEMMUELKPITJLL-UHFFFAOYSA-N
MW234.35 g/mol
LogP3.04
Rot. Bonds3

About 2-N-cyclooctyl-6-N-methylpyrazine-2,6-diamine

2-N-cyclooctyl-6-N-methylpyrazine-2,6-diamine (PubChem CID 80785345) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-N-cyclooctyl-6-N-methylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-cyclooctyl-6-N-methylpyrazine-2,6-diamine
PubChem CID80785345
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-N-cyclooctyl-6-N-methylpyrazine-2,6-diamine
SMILESCNc1cncc(NC2CCCCCCC2)n1
InChIInChI=1S/C13H22N4/c1-14-12-9-15-10-13(17-12)16-11-7-5-3-2-4-6-8-11/h9-11H,2-8H2,1H3,(H2,14,16,17)
InChIKeySEMMUELKPITJLL-UHFFFAOYSA-N
XLogP3.04
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-methyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine
CID 114123917
2-N-cyclooctylpyrazine-2,6-diamine
CID 78988887
6-cycloheptyloxy-N-methylpyrazin-2-amine
CID 80871369
6-cyclohexyloxy-N-methylpyrazin-2-amine
CID 80858720
6-(cycloheptylamino)pyrazine-2-carboxylic acid
CID 66458367
6-chloro-N-cyclobutylpyrazin-2-amine
CID 62415214
1-methyl-5-[[6-(methylamino)pyrazin-2-yl]amino]piperidin-2-one
CID 80843926
6-N-methyl-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazine-2,6-diamine
CID 80825956
N-cyclopentyl-6-ethylsulfanylpyrazin-2-amine
CID 75418663
2-N-cyclohexyl-2-N,6-N-dimethylpyrazine-2,6-diamine
CID 80762053
N-cyclooctyl-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 71885724
6-hydrazinyl-N-(4-methylcyclohexyl)pyrazin-2-amine
CID 80944207

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclooctyl-6-N-methylpyrazine-2,6-diamine?
The IUPAC name of 2-N-cyclooctyl-6-N-methylpyrazine-2,6-diamine (CID 80785345) is 2-N-cyclooctyl-6-N-methylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-cyclooctyl-6-N-methylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-cyclooctyl-6-N-methylpyrazine-2,6-diamine is CNc1cncc(NC2CCCCCCC2)n1.
What is the InChIKey of 2-N-cyclooctyl-6-N-methylpyrazine-2,6-diamine?
The InChIKey is SEMMUELKPITJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-14-12-9-15-10-13(17-12)16-11-7-5-3-2-4-6-8-11/h9-11H,2-8H2,1H3,(H2,14,16,17).
What are the key properties of 2-N-cyclooctyl-6-N-methylpyrazine-2,6-diamine?
2-N-cyclooctyl-6-N-methylpyrazine-2,6-diamine has a molecular weight of 234.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclooctyl-6-N-methylpyrazine-2,6-diamine is sourced from PubChem (CID 80785345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).