ethane;1-ethanimidoylpyridin-2-imine

C9H15N3 — CID 145039455

IUPACethane;1-ethanimidoylpyridin-2-imine
SMILESCC.[H]/N=C(\C)n1cccc/c1=N\[H]
InChIInChI=1S/C7H9N3.C2H6/c1-6(8)10-5-3-2-4-7(10)9;1-2/h2-5,8-9H,1H3;1-2H3/b8-6+,9-7+;
InChIKeyGHZZSKZWNNVMTM-SLGVWIAZSA-N
MW165.24 g/mol
LogP1.84
Rot. Bonds

About ethane;1-ethanimidoylpyridin-2-imine

ethane;1-ethanimidoylpyridin-2-imine (PubChem CID 145039455) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is ethane;1-ethanimidoylpyridin-2-imine.

Molecular Properties

Compound Nameethane;1-ethanimidoylpyridin-2-imine
PubChem CID145039455
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Nameethane;1-ethanimidoylpyridin-2-imine
SMILESCC.[H]/N=C(\C)n1cccc/c1=N\[H]
InChIInChI=1S/C7H9N3.C2H6/c1-6(8)10-5-3-2-4-7(10)9;1-2/h2-5,8-9H,1H3;1-2H3/b8-6+,9-7+;
InChIKeyGHZZSKZWNNVMTM-SLGVWIAZSA-N
XLogP1.84
TPSA52.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethanimidoylpyridin-2-imine?
The IUPAC name of ethane;1-ethanimidoylpyridin-2-imine (CID 145039455) is ethane;1-ethanimidoylpyridin-2-imine.
What is the SMILES notation for ethane;1-ethanimidoylpyridin-2-imine?
The canonical SMILES for ethane;1-ethanimidoylpyridin-2-imine is CC.[H]/N=C(\C)n1cccc/c1=N\[H].
What is the InChIKey of ethane;1-ethanimidoylpyridin-2-imine?
The InChIKey is GHZZSKZWNNVMTM-SLGVWIAZSA-N. The full InChI is InChI=1S/C7H9N3.C2H6/c1-6(8)10-5-3-2-4-7(10)9;1-2/h2-5,8-9H,1H3;1-2H3/b8-6+,9-7+;.
What are the key properties of ethane;1-ethanimidoylpyridin-2-imine?
ethane;1-ethanimidoylpyridin-2-imine has a molecular weight of 165.24 g/mol, XLogP of 1.84, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethanimidoylpyridin-2-imine is sourced from PubChem (CID 145039455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).