7-ethanimidoylspiro[3.6]dec-6-en-9-imine

C12H18N2 — CID 155158288

IUPAC7-ethanimidoylspiro[3.6]dec-6-en-9-imine
SMILES[H]/N=C1\CC(/C(C)=N/[H])=CCC2(CCC2)C1
InChIInChI=1S/C12H18N2/c1-9(13)10-3-6-12(4-2-5-12)8-11(14)7-10/h3,13-14H,2,4-8H2,1H3/b13-9+,14-11+
InChIKeyMLWAKHLFMDAZAH-IJFRVEDASA-N
MW190.29 g/mol
LogP3.33
Rot. Bonds1

About 7-ethanimidoylspiro[3.6]dec-6-en-9-imine

7-ethanimidoylspiro[3.6]dec-6-en-9-imine (PubChem CID 155158288) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 7-ethanimidoylspiro[3.6]dec-6-en-9-imine.

Molecular Properties

Compound Name7-ethanimidoylspiro[3.6]dec-6-en-9-imine
PubChem CID155158288
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name7-ethanimidoylspiro[3.6]dec-6-en-9-imine
SMILES[H]/N=C1\CC(/C(C)=N/[H])=CCC2(CCC2)C1
InChIInChI=1S/C12H18N2/c1-9(13)10-3-6-12(4-2-5-12)8-11(14)7-10/h3,13-14H,2,4-8H2,1H3/b13-9+,14-11+
InChIKeyMLWAKHLFMDAZAH-IJFRVEDASA-N
XLogP3.33
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 7-ethanimidoylspiro[3.6]dec-6-en-9-imine?
The IUPAC name of 7-ethanimidoylspiro[3.6]dec-6-en-9-imine (CID 155158288) is 7-ethanimidoylspiro[3.6]dec-6-en-9-imine.
What is the SMILES notation for 7-ethanimidoylspiro[3.6]dec-6-en-9-imine?
The canonical SMILES for 7-ethanimidoylspiro[3.6]dec-6-en-9-imine is [H]/N=C1\CC(/C(C)=N/[H])=CCC2(CCC2)C1.
What is the InChIKey of 7-ethanimidoylspiro[3.6]dec-6-en-9-imine?
The InChIKey is MLWAKHLFMDAZAH-IJFRVEDASA-N. The full InChI is InChI=1S/C12H18N2/c1-9(13)10-3-6-12(4-2-5-12)8-11(14)7-10/h3,13-14H,2,4-8H2,1H3/b13-9+,14-11+.
What are the key properties of 7-ethanimidoylspiro[3.6]dec-6-en-9-imine?
7-ethanimidoylspiro[3.6]dec-6-en-9-imine has a molecular weight of 190.29 g/mol, XLogP of 3.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethanimidoylspiro[3.6]dec-6-en-9-imine is sourced from PubChem (CID 155158288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).