1-N-(5,6-dimethylpyrazin-2-yl)pentane-1,4-diamine

C11H20N4 — CID 106127510

IUPAC1-N-(5,6-dimethylpyrazin-2-yl)pentane-1,4-diamine
SMILESCc1ncc(NCCCC(C)N)nc1C
InChIInChI=1S/C11H20N4/c1-8(12)5-4-6-13-11-7-14-9(2)10(3)15-11/h7-8H,4-6,12H2,1-3H3,(H,13,15)
InChIKeyCXEUCGWSQJJWLS-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.63
Rot. Bonds5

About 1-N-(5,6-dimethylpyrazin-2-yl)pentane-1,4-diamine

1-N-(5,6-dimethylpyrazin-2-yl)pentane-1,4-diamine (PubChem CID 106127510) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-N-(5,6-dimethylpyrazin-2-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-(5,6-dimethylpyrazin-2-yl)pentane-1,4-diamine
PubChem CID106127510
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-N-(5,6-dimethylpyrazin-2-yl)pentane-1,4-diamine
SMILESCc1ncc(NCCCC(C)N)nc1C
InChIInChI=1S/C11H20N4/c1-8(12)5-4-6-13-11-7-14-9(2)10(3)15-11/h7-8H,4-6,12H2,1-3H3,(H,13,15)
InChIKeyCXEUCGWSQJJWLS-UHFFFAOYSA-N
XLogP1.63
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.63
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

5-[(5,6-dimethylpyrazin-2-yl)amino]pentanamide
CID 106238601
5,6-dimethyl-N-(3-methylsulfonylpropyl)pyrazin-2-amine
CID 114475440
1-N-(6-methoxy-2-methylpyrimidin-4-yl)pentane-1,4-diamine
CID 106127472
N-[4-(2-methoxyethoxy)butyl]-5,6-dimethylpyrazin-2-amine
CID 114476158
N-(2-methoxypropyl)-5,6-dimethylpyrazin-2-amine
CID 102698959
5,6-dimethyl-N-(2-methylsulfonylethyl)pyrazin-2-amine
CID 114475378
N-(2-butoxyethyl)-5,6-dimethylpyrazin-2-amine
CID 114475476
N-[2-(4-aminophenyl)ethyl]-5,6-dimethylpyrazin-2-amine
CID 114476457
1-N-(5-bromo-3-methyl-2-pyridinyl)pentane-1,4-diamine
CID 106127370
5,6-dimethyl-N-(6-methylheptan-2-yl)pyrazin-2-amine
CID 114475549
2-N-(5,6-dimethylpyrazin-2-yl)propane-1,2,3-triamine
CID 131025734
N-(5,6-dimethylpyrazin-2-yl)-2-propylbutane-1,4-diamine
CID 106116504

Frequently Asked Questions

What is the IUPAC name of 1-N-(5,6-dimethylpyrazin-2-yl)pentane-1,4-diamine?
The IUPAC name of 1-N-(5,6-dimethylpyrazin-2-yl)pentane-1,4-diamine (CID 106127510) is 1-N-(5,6-dimethylpyrazin-2-yl)pentane-1,4-diamine.
What is the SMILES notation for 1-N-(5,6-dimethylpyrazin-2-yl)pentane-1,4-diamine?
The canonical SMILES for 1-N-(5,6-dimethylpyrazin-2-yl)pentane-1,4-diamine is Cc1ncc(NCCCC(C)N)nc1C.
What is the InChIKey of 1-N-(5,6-dimethylpyrazin-2-yl)pentane-1,4-diamine?
The InChIKey is CXEUCGWSQJJWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-8(12)5-4-6-13-11-7-14-9(2)10(3)15-11/h7-8H,4-6,12H2,1-3H3,(H,13,15).
What are the key properties of 1-N-(5,6-dimethylpyrazin-2-yl)pentane-1,4-diamine?
1-N-(5,6-dimethylpyrazin-2-yl)pentane-1,4-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5,6-dimethylpyrazin-2-yl)pentane-1,4-diamine is sourced from PubChem (CID 106127510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).