ethane;N-(6-ethenyl-4-methyl-2,3-dihydro-1H-pyrazin-5-yl)methanimine

C10H19N3 — CID 164918627

IUPACethane;N-(6-ethenyl-4-methyl-2,3-dihydro-1H-pyrazin-5-yl)methanimine
SMILESC=CC1=C(N=C)N(C)CCN1.CC
InChIInChI=1S/C8H13N3.C2H6/c1-4-7-8(9-2)11(3)6-5-10-7;1-2/h4,10H,1-2,5-6H2,3H3;1-2H3
InChIKeyGIRLFTBDKLQYEW-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.60
Rot. Bonds2

About ethane;N-(6-ethenyl-4-methyl-2,3-dihydro-1H-pyrazin-5-yl)methanimine

ethane;N-(6-ethenyl-4-methyl-2,3-dihydro-1H-pyrazin-5-yl)methanimine (PubChem CID 164918627) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is ethane;N-(6-ethenyl-4-methyl-2,3-dihydro-1H-pyrazin-5-yl)methanimine.

Molecular Properties

Compound Nameethane;N-(6-ethenyl-4-methyl-2,3-dihydro-1H-pyrazin-5-yl)methanimine
PubChem CID164918627
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Nameethane;N-(6-ethenyl-4-methyl-2,3-dihydro-1H-pyrazin-5-yl)methanimine
SMILESC=CC1=C(N=C)N(C)CCN1.CC
InChIInChI=1S/C8H13N3.C2H6/c1-4-7-8(9-2)11(3)6-5-10-7;1-2/h4,10H,1-2,5-6H2,3H3;1-2H3
InChIKeyGIRLFTBDKLQYEW-UHFFFAOYSA-N
XLogP1.60
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(6-ethenyl-4-methyl-2,3-dihydro-1H-pyrazin-5-yl)methanimine?
The IUPAC name of ethane;N-(6-ethenyl-4-methyl-2,3-dihydro-1H-pyrazin-5-yl)methanimine (CID 164918627) is ethane;N-(6-ethenyl-4-methyl-2,3-dihydro-1H-pyrazin-5-yl)methanimine.
What is the SMILES notation for ethane;N-(6-ethenyl-4-methyl-2,3-dihydro-1H-pyrazin-5-yl)methanimine?
The canonical SMILES for ethane;N-(6-ethenyl-4-methyl-2,3-dihydro-1H-pyrazin-5-yl)methanimine is C=CC1=C(N=C)N(C)CCN1.CC.
What is the InChIKey of ethane;N-(6-ethenyl-4-methyl-2,3-dihydro-1H-pyrazin-5-yl)methanimine?
The InChIKey is GIRLFTBDKLQYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3.C2H6/c1-4-7-8(9-2)11(3)6-5-10-7;1-2/h4,10H,1-2,5-6H2,3H3;1-2H3.
What are the key properties of ethane;N-(6-ethenyl-4-methyl-2,3-dihydro-1H-pyrazin-5-yl)methanimine?
ethane;N-(6-ethenyl-4-methyl-2,3-dihydro-1H-pyrazin-5-yl)methanimine has a molecular weight of 181.28 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(6-ethenyl-4-methyl-2,3-dihydro-1H-pyrazin-5-yl)methanimine is sourced from PubChem (CID 164918627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).