2-N-octylpyrazine-2,5-diamine

C12H22N4 — CID 115565252

IUPAC2-N-octylpyrazine-2,5-diamine
SMILESCCCCCCCCNc1cnc(N)cn1
InChIInChI=1S/C12H22N4/c1-2-3-4-5-6-7-8-14-12-10-15-11(13)9-16-12/h9-10H,2-8H2,1H3,(H2,13,15)(H,14,16)
InChIKeyDAXLRKLVKDVENG-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.83
Rot. Bonds8

About 2-N-octylpyrazine-2,5-diamine

2-N-octylpyrazine-2,5-diamine (PubChem CID 115565252) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-N-octylpyrazine-2,5-diamine.

Molecular Properties

Compound Name2-N-octylpyrazine-2,5-diamine
PubChem CID115565252
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-N-octylpyrazine-2,5-diamine
SMILESCCCCCCCCNc1cnc(N)cn1
InChIInChI=1S/C12H22N4/c1-2-3-4-5-6-7-8-14-12-10-15-11(13)9-16-12/h9-10H,2-8H2,1H3,(H2,13,15)(H,14,16)
InChIKeyDAXLRKLVKDVENG-UHFFFAOYSA-N
XLogP2.83
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-hexylpyrazine-2,5-diamine
CID 80652876
6-[(5-aminopyrazin-2-yl)amino]hexan-1-ol
CID 107855093
2-N-hexylpyridine-2,5-diamine
CID 21487111
2-N-(5,5,5-trifluoropentyl)pyrazine-2,5-diamine
CID 115523020
4-[(5-aminopyrazin-2-yl)amino]butanamide
CID 80652340
2-N-(2-ethylhexyl)pyrazine-2,5-diamine
CID 107818873
ethyl 4-[(5-aminopyrazin-2-yl)amino]butanoate
CID 80653247
2-N-(2-methylsulfonylethyl)pyrazine-2,5-diamine
CID 80653348
4-[5-(dodecylamino)pyrazin-2-yl]phenol
CID 135525100
4-N,6-N-dihexylpyrimidine-4,6-diamine
CID 2747970
4-N-decyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960186
ethyl 3-[(5-aminopyrazin-2-yl)amino]propanoate
CID 80653355

Frequently Asked Questions

What is the IUPAC name of 2-N-octylpyrazine-2,5-diamine?
The IUPAC name of 2-N-octylpyrazine-2,5-diamine (CID 115565252) is 2-N-octylpyrazine-2,5-diamine.
What is the SMILES notation for 2-N-octylpyrazine-2,5-diamine?
The canonical SMILES for 2-N-octylpyrazine-2,5-diamine is CCCCCCCCNc1cnc(N)cn1.
What is the InChIKey of 2-N-octylpyrazine-2,5-diamine?
The InChIKey is DAXLRKLVKDVENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-2-3-4-5-6-7-8-14-12-10-15-11(13)9-16-12/h9-10H,2-8H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of 2-N-octylpyrazine-2,5-diamine?
2-N-octylpyrazine-2,5-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-octylpyrazine-2,5-diamine is sourced from PubChem (CID 115565252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).