2-N-hexylpyrazine-2,5-diamine

C10H18N4 — CID 80652876

IUPAC2-N-hexylpyrazine-2,5-diamine
SMILESCCCCCCNc1cnc(N)cn1
InChIInChI=1S/C10H18N4/c1-2-3-4-5-6-12-10-8-13-9(11)7-14-10/h7-8H,2-6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyVIEUSFHVQMIJHX-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.05
Rot. Bonds6

About 2-N-hexylpyrazine-2,5-diamine

2-N-hexylpyrazine-2,5-diamine (PubChem CID 80652876) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-N-hexylpyrazine-2,5-diamine.

Molecular Properties

Compound Name2-N-hexylpyrazine-2,5-diamine
PubChem CID80652876
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-N-hexylpyrazine-2,5-diamine
SMILESCCCCCCNc1cnc(N)cn1
InChIInChI=1S/C10H18N4/c1-2-3-4-5-6-12-10-8-13-9(11)7-14-10/h7-8H,2-6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyVIEUSFHVQMIJHX-UHFFFAOYSA-N
XLogP2.05
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.05
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-octylpyrazine-2,5-diamine
CID 115565252
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-hexylpyrazine-2,5-diamine?
The IUPAC name of 2-N-hexylpyrazine-2,5-diamine (CID 80652876) is 2-N-hexylpyrazine-2,5-diamine.
What is the SMILES notation for 2-N-hexylpyrazine-2,5-diamine?
The canonical SMILES for 2-N-hexylpyrazine-2,5-diamine is CCCCCCNc1cnc(N)cn1.
What is the InChIKey of 2-N-hexylpyrazine-2,5-diamine?
The InChIKey is VIEUSFHVQMIJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-3-4-5-6-12-10-8-13-9(11)7-14-10/h7-8H,2-6H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of 2-N-hexylpyrazine-2,5-diamine?
2-N-hexylpyrazine-2,5-diamine has a molecular weight of 194.28 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-hexylpyrazine-2,5-diamine is sourced from PubChem (CID 80652876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).