2-N-(3,3-dimethylbutyl)pyrazine-2,6-diamine

C10H18N4 — CID 115599185

IUPAC2-N-(3,3-dimethylbutyl)pyrazine-2,6-diamine
SMILESCC(C)(C)CCNc1cncc(N)n1
InChIInChI=1S/C10H18N4/c1-10(2,3)4-5-13-9-7-12-6-8(11)14-9/h6-7H,4-5H2,1-3H3,(H3,11,13,14)
InChIKeyOXJWUANUQWYVSB-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.91
Rot. Bonds3

About 2-N-(3,3-dimethylbutyl)pyrazine-2,6-diamine

2-N-(3,3-dimethylbutyl)pyrazine-2,6-diamine (PubChem CID 115599185) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-N-(3,3-dimethylbutyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(3,3-dimethylbutyl)pyrazine-2,6-diamine
PubChem CID115599185
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-N-(3,3-dimethylbutyl)pyrazine-2,6-diamine
SMILESCC(C)(C)CCNc1cncc(N)n1
InChIInChI=1S/C10H18N4/c1-10(2,3)4-5-13-9-7-12-6-8(11)14-9/h6-7H,4-5H2,1-3H3,(H3,11,13,14)
InChIKeyOXJWUANUQWYVSB-UHFFFAOYSA-N
XLogP1.91
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethylpyrazine-2,6-diamine
CID 69290778
2-N-(2,2,3-trimethylbutyl)pyrazine-2,6-diamine
CID 102609033
2-N-tert-butylpyrazine-2,6-diamine
CID 80646753
2-N-(2-methoxy-2-methylpropyl)pyrazine-2,6-diamine
CID 115658507
N-(5,5-dimethylhexyl)-6-methylpyrazin-2-amine
CID 133470236
N-[2-[(6-aminopyrazin-2-yl)amino]ethyl]methanesulfonamide
CID 78988761
6-(3,3-dimethylbutyl)pyrazin-2-amine
CID 59238418
2-N-(2,3-dimethylbutyl)pyrazine-2,6-diamine
CID 78999111
2-[(6-aminopyrazin-2-yl)amino]-N-methylethanesulfonamide
CID 106343062
N-[1-[(6-aminopyrazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 78953806
2-N-[2-(3,5-difluorophenyl)ethyl]pyrazine-2,6-diamine
CID 78988905
2-N-benzylpyrazine-2,6-diamine
CID 70838336

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,3-dimethylbutyl)pyrazine-2,6-diamine?
The IUPAC name of 2-N-(3,3-dimethylbutyl)pyrazine-2,6-diamine (CID 115599185) is 2-N-(3,3-dimethylbutyl)pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(3,3-dimethylbutyl)pyrazine-2,6-diamine?
The canonical SMILES for 2-N-(3,3-dimethylbutyl)pyrazine-2,6-diamine is CC(C)(C)CCNc1cncc(N)n1.
What is the InChIKey of 2-N-(3,3-dimethylbutyl)pyrazine-2,6-diamine?
The InChIKey is OXJWUANUQWYVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-10(2,3)4-5-13-9-7-12-6-8(11)14-9/h6-7H,4-5H2,1-3H3,(H3,11,13,14).
What are the key properties of 2-N-(3,3-dimethylbutyl)pyrazine-2,6-diamine?
2-N-(3,3-dimethylbutyl)pyrazine-2,6-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,3-dimethylbutyl)pyrazine-2,6-diamine is sourced from PubChem (CID 115599185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).