N,N'-diethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine

C11H20N4 — CID 83064976

IUPACN,N'-diethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine
SMILESCCNCCN(CC)c1nccnc1C
InChIInChI=1S/C11H20N4/c1-4-12-8-9-15(5-2)11-10(3)13-6-7-14-11/h6-7,12H,4-5,8-9H2,1-3H3
InChIKeyQGQVABUZLKVHOO-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.22
Rot. Bonds6

About N,N'-diethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine

N,N'-diethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine (PubChem CID 83064976) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N,N'-diethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-diethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine
PubChem CID83064976
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN,N'-diethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine
SMILESCCNCCN(CC)c1nccnc1C
InChIInChI=1S/C11H20N4/c1-4-12-8-9-15(5-2)11-10(3)13-6-7-14-11/h6-7,12H,4-5,8-9H2,1-3H3
InChIKeyQGQVABUZLKVHOO-UHFFFAOYSA-N
XLogP1.22
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-diethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine (CID 83064976) is N,N'-diethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-diethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-diethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine is CCNCCN(CC)c1nccnc1C.
What is the InChIKey of N,N'-diethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine?
The InChIKey is QGQVABUZLKVHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-4-12-8-9-15(5-2)11-10(3)13-6-7-14-11/h6-7,12H,4-5,8-9H2,1-3H3.
What are the key properties of N,N'-diethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine?
N,N'-diethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 83064976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).