6-ethylideneundecan-1-imine

C13H25N — CID 87825837

IUPAC6-ethylideneundecan-1-imine
SMILES[H]/N=C/CCCCC(=CC)CCCCC
InChIInChI=1S/C13H25N/c1-3-5-7-10-13(4-2)11-8-6-9-12-14/h4,12,14H,3,5-11H2,1-2H3/b13-4?,14-12+
InChIKeyGYRNWPIBMCIGSK-UAQRCFBUSA-N
MW195.35 g/mol
LogP4.72
Rot. Bonds9

About 6-ethylideneundecan-1-imine

6-ethylideneundecan-1-imine (PubChem CID 87825837) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 6-ethylideneundecan-1-imine.

Molecular Properties

Compound Name6-ethylideneundecan-1-imine
PubChem CID87825837
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name6-ethylideneundecan-1-imine
SMILES[H]/N=C/CCCCC(=CC)CCCCC
InChIInChI=1S/C13H25N/c1-3-5-7-10-13(4-2)11-8-6-9-12-14/h4,12,14H,3,5-11H2,1-2H3/b13-4?,14-12+
InChIKeyGYRNWPIBMCIGSK-UAQRCFBUSA-N
XLogP4.72
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.72
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 6-ethylideneundecan-1-imine?
The IUPAC name of 6-ethylideneundecan-1-imine (CID 87825837) is 6-ethylideneundecan-1-imine.
What is the SMILES notation for 6-ethylideneundecan-1-imine?
The canonical SMILES for 6-ethylideneundecan-1-imine is [H]/N=C/CCCCC(=CC)CCCCC.
What is the InChIKey of 6-ethylideneundecan-1-imine?
The InChIKey is GYRNWPIBMCIGSK-UAQRCFBUSA-N. The full InChI is InChI=1S/C13H25N/c1-3-5-7-10-13(4-2)11-8-6-9-12-14/h4,12,14H,3,5-11H2,1-2H3/b13-4?,14-12+.
What are the key properties of 6-ethylideneundecan-1-imine?
6-ethylideneundecan-1-imine has a molecular weight of 195.35 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylideneundecan-1-imine is sourced from PubChem (CID 87825837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).