2-N-(3,6-dimethylpyrazin-2-yl)-4-methylpentane-1,2-diamine

C12H22N4 — CID 63759233

IUPAC2-N-(3,6-dimethylpyrazin-2-yl)-4-methylpentane-1,2-diamine
SMILESCc1cnc(C)c(NC(CN)CC(C)C)n1
InChIInChI=1S/C12H22N4/c1-8(2)5-11(6-13)16-12-10(4)14-7-9(3)15-12/h7-8,11H,5-6,13H2,1-4H3,(H,15,16)
InChIKeyJVQOUHQMRKXBGQ-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.88
Rot. Bonds5

About 2-N-(3,6-dimethylpyrazin-2-yl)-4-methylpentane-1,2-diamine

2-N-(3,6-dimethylpyrazin-2-yl)-4-methylpentane-1,2-diamine (PubChem CID 63759233) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-N-(3,6-dimethylpyrazin-2-yl)-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3,6-dimethylpyrazin-2-yl)-4-methylpentane-1,2-diamine
PubChem CID63759233
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-N-(3,6-dimethylpyrazin-2-yl)-4-methylpentane-1,2-diamine
SMILESCc1cnc(C)c(NC(CN)CC(C)C)n1
InChIInChI=1S/C12H22N4/c1-8(2)5-11(6-13)16-12-10(4)14-7-9(3)15-12/h7-8,11H,5-6,13H2,1-4H3,(H,15,16)
InChIKeyJVQOUHQMRKXBGQ-UHFFFAOYSA-N
XLogP1.88
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,6-dimethylpyrazin-2-yl)-4-methylpentane-1,2-diamine?
The IUPAC name of 2-N-(3,6-dimethylpyrazin-2-yl)-4-methylpentane-1,2-diamine (CID 63759233) is 2-N-(3,6-dimethylpyrazin-2-yl)-4-methylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(3,6-dimethylpyrazin-2-yl)-4-methylpentane-1,2-diamine?
The canonical SMILES for 2-N-(3,6-dimethylpyrazin-2-yl)-4-methylpentane-1,2-diamine is Cc1cnc(C)c(NC(CN)CC(C)C)n1.
What is the InChIKey of 2-N-(3,6-dimethylpyrazin-2-yl)-4-methylpentane-1,2-diamine?
The InChIKey is JVQOUHQMRKXBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-8(2)5-11(6-13)16-12-10(4)14-7-9(3)15-12/h7-8,11H,5-6,13H2,1-4H3,(H,15,16).
What are the key properties of 2-N-(3,6-dimethylpyrazin-2-yl)-4-methylpentane-1,2-diamine?
2-N-(3,6-dimethylpyrazin-2-yl)-4-methylpentane-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,6-dimethylpyrazin-2-yl)-4-methylpentane-1,2-diamine is sourced from PubChem (CID 63759233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).