5-methylidenedec-1-en-4-imine

C11H19N — CID 131994670

IUPAC5-methylidenedec-1-en-4-imine
SMILES[H]/N=C(\CC=C)C(=C)CCCCC
InChIInChI=1S/C11H19N/c1-4-6-7-9-10(3)11(12)8-5-2/h5,12H,2-4,6-9H2,1H3/b12-11+
InChIKeyVJSGDXBGAXSQOX-VAWYXSNFSA-N
MW165.28 g/mol
LogP3.72
Rot. Bonds7

About 5-methylidenedec-1-en-4-imine

5-methylidenedec-1-en-4-imine (PubChem CID 131994670) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 5-methylidenedec-1-en-4-imine.

Molecular Properties

Compound Name5-methylidenedec-1-en-4-imine
PubChem CID131994670
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name5-methylidenedec-1-en-4-imine
SMILES[H]/N=C(\CC=C)C(=C)CCCCC
InChIInChI=1S/C11H19N/c1-4-6-7-9-10(3)11(12)8-5-2/h5,12H,2-4,6-9H2,1H3/b12-11+
InChIKeyVJSGDXBGAXSQOX-VAWYXSNFSA-N
XLogP3.72
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methylidenedec-1-en-4-imine?
The IUPAC name of 5-methylidenedec-1-en-4-imine (CID 131994670) is 5-methylidenedec-1-en-4-imine.
What is the SMILES notation for 5-methylidenedec-1-en-4-imine?
The canonical SMILES for 5-methylidenedec-1-en-4-imine is [H]/N=C(\CC=C)C(=C)CCCCC.
What is the InChIKey of 5-methylidenedec-1-en-4-imine?
The InChIKey is VJSGDXBGAXSQOX-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H19N/c1-4-6-7-9-10(3)11(12)8-5-2/h5,12H,2-4,6-9H2,1H3/b12-11+.
What are the key properties of 5-methylidenedec-1-en-4-imine?
5-methylidenedec-1-en-4-imine has a molecular weight of 165.28 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidenedec-1-en-4-imine is sourced from PubChem (CID 131994670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).