N'-[3-(6-ethyl-2H-pyrazin-1-yl)propyl]propane-1,3-diamine

C12H24N4 — CID 67632405

IUPACN'-[3-(6-ethyl-2H-pyrazin-1-yl)propyl]propane-1,3-diamine
SMILESCCC1=CN=CCN1CCCNCCCN
InChIInChI=1S/C12H24N4/c1-2-12-11-15-8-10-16(12)9-4-7-14-6-3-5-13/h8,11,14H,2-7,9-10,13H2,1H3
InChIKeySMDARUSQIGXSEX-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.95
Rot. Bonds8

About N'-[3-(6-ethyl-2H-pyrazin-1-yl)propyl]propane-1,3-diamine

N'-[3-(6-ethyl-2H-pyrazin-1-yl)propyl]propane-1,3-diamine (PubChem CID 67632405) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N'-[3-(6-ethyl-2H-pyrazin-1-yl)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(6-ethyl-2H-pyrazin-1-yl)propyl]propane-1,3-diamine
PubChem CID67632405
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN'-[3-(6-ethyl-2H-pyrazin-1-yl)propyl]propane-1,3-diamine
SMILESCCC1=CN=CCN1CCCNCCCN
InChIInChI=1S/C12H24N4/c1-2-12-11-15-8-10-16(12)9-4-7-14-6-3-5-13/h8,11,14H,2-7,9-10,13H2,1H3
InChIKeySMDARUSQIGXSEX-UHFFFAOYSA-N
XLogP0.95
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.95
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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Frequently Asked Questions

What is the IUPAC name of N'-[3-(6-ethyl-2H-pyrazin-1-yl)propyl]propane-1,3-diamine?
The IUPAC name of N'-[3-(6-ethyl-2H-pyrazin-1-yl)propyl]propane-1,3-diamine (CID 67632405) is N'-[3-(6-ethyl-2H-pyrazin-1-yl)propyl]propane-1,3-diamine.
What is the SMILES notation for N'-[3-(6-ethyl-2H-pyrazin-1-yl)propyl]propane-1,3-diamine?
The canonical SMILES for N'-[3-(6-ethyl-2H-pyrazin-1-yl)propyl]propane-1,3-diamine is CCC1=CN=CCN1CCCNCCCN.
What is the InChIKey of N'-[3-(6-ethyl-2H-pyrazin-1-yl)propyl]propane-1,3-diamine?
The InChIKey is SMDARUSQIGXSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-2-12-11-15-8-10-16(12)9-4-7-14-6-3-5-13/h8,11,14H,2-7,9-10,13H2,1H3.
What are the key properties of N'-[3-(6-ethyl-2H-pyrazin-1-yl)propyl]propane-1,3-diamine?
N'-[3-(6-ethyl-2H-pyrazin-1-yl)propyl]propane-1,3-diamine has a molecular weight of 224.35 g/mol, XLogP of 0.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(6-ethyl-2H-pyrazin-1-yl)propyl]propane-1,3-diamine is sourced from PubChem (CID 67632405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).