methanimine;1-(2-methylpropyl)pyrazin-2-imine

C9H16N4 — CID 142609476

IUPACmethanimine;1-(2-methylpropyl)pyrazin-2-imine
SMILES[H]/N=c1\cnccn1CC(C)C.[H]N=C
InChIInChI=1S/C8H13N3.CH3N/c1-7(2)6-11-4-3-10-5-8(11)9;1-2/h3-5,7,9H,6H2,1-2H3;2H,1H2/b9-8+;
InChIKeyUQSFNBYOMDEIGG-HRNDJLQDSA-N
MW180.26 g/mol
LogP1.28
Rot. Bonds2

About methanimine;1-(2-methylpropyl)pyrazin-2-imine

methanimine;1-(2-methylpropyl)pyrazin-2-imine (PubChem CID 142609476) has the molecular formula C9H16N4 and a molecular weight of 180.26 g/mol. Its IUPAC name is methanimine;1-(2-methylpropyl)pyrazin-2-imine.

Molecular Properties

Compound Namemethanimine;1-(2-methylpropyl)pyrazin-2-imine
PubChem CID142609476
Molecular FormulaC9H16N4
Molecular Weight180.26 g/mol
Exact Mass180.14
IUPAC Namemethanimine;1-(2-methylpropyl)pyrazin-2-imine
SMILES[H]/N=c1\cnccn1CC(C)C.[H]N=C
InChIInChI=1S/C8H13N3.CH3N/c1-7(2)6-11-4-3-10-5-8(11)9;1-2/h3-5,7,9H,6H2,1-2H3;2H,1H2/b9-8+;
InChIKeyUQSFNBYOMDEIGG-HRNDJLQDSA-N
XLogP1.28
TPSA65.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Propanimidoylpyrazin-2-imine
CID 68218991
1-Ethanimidoylpyrazin-2-imine
CID 70237687
N-ethenyl-N-(2-methylbutyl)ethanimidamide
CID 118581484
1-(2-Methylpropanimidoyl)pyrazin-2-imine
CID 142609449
1-(2-Methylpropyl)pyrazin-2-imine
CID 142609477
2-ethenylimino-N-[3-(ethylamino)propyl]-N-methylethanimidamide
CID 144222107

Frequently Asked Questions

What is the IUPAC name of methanimine;1-(2-methylpropyl)pyrazin-2-imine?
The IUPAC name of methanimine;1-(2-methylpropyl)pyrazin-2-imine (CID 142609476) is methanimine;1-(2-methylpropyl)pyrazin-2-imine.
What is the SMILES notation for methanimine;1-(2-methylpropyl)pyrazin-2-imine?
The canonical SMILES for methanimine;1-(2-methylpropyl)pyrazin-2-imine is [H]/N=c1\cnccn1CC(C)C.[H]N=C.
What is the InChIKey of methanimine;1-(2-methylpropyl)pyrazin-2-imine?
The InChIKey is UQSFNBYOMDEIGG-HRNDJLQDSA-N. The full InChI is InChI=1S/C8H13N3.CH3N/c1-7(2)6-11-4-3-10-5-8(11)9;1-2/h3-5,7,9H,6H2,1-2H3;2H,1H2/b9-8+;.
What are the key properties of methanimine;1-(2-methylpropyl)pyrazin-2-imine?
methanimine;1-(2-methylpropyl)pyrazin-2-imine has a molecular weight of 180.26 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanimine;1-(2-methylpropyl)pyrazin-2-imine is sourced from PubChem (CID 142609476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).