5,7-diethylundecan-6-imine

C15H31N — CID 87156941

IUPAC5,7-diethylundecan-6-imine
SMILES[H]N=C(C(CC)CCCC)C(CC)CCCC
InChIInChI=1S/C15H31N/c1-5-9-11-13(7-3)15(16)14(8-4)12-10-6-2/h13-14,16H,5-12H2,1-4H3
InChIKeyDCUAAUIRMKPCFP-UHFFFAOYSA-N
MW225.42 g/mol
LogP5.44
Rot. Bonds10

About 5,7-diethylundecan-6-imine

5,7-diethylundecan-6-imine (PubChem CID 87156941) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 5,7-diethylundecan-6-imine.

Molecular Properties

Compound Name5,7-diethylundecan-6-imine
PubChem CID87156941
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name5,7-diethylundecan-6-imine
SMILES[H]N=C(C(CC)CCCC)C(CC)CCCC
InChIInChI=1S/C15H31N/c1-5-9-11-13(7-3)15(16)14(8-4)12-10-6-2/h13-14,16H,5-12H2,1-4H3
InChIKeyDCUAAUIRMKPCFP-UHFFFAOYSA-N
XLogP5.44
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500225.42
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5,7-diethylundecan-6-imine?
The IUPAC name of 5,7-diethylundecan-6-imine (CID 87156941) is 5,7-diethylundecan-6-imine.
What is the SMILES notation for 5,7-diethylundecan-6-imine?
The canonical SMILES for 5,7-diethylundecan-6-imine is [H]N=C(C(CC)CCCC)C(CC)CCCC.
What is the InChIKey of 5,7-diethylundecan-6-imine?
The InChIKey is DCUAAUIRMKPCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-5-9-11-13(7-3)15(16)14(8-4)12-10-6-2/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 5,7-diethylundecan-6-imine?
5,7-diethylundecan-6-imine has a molecular weight of 225.42 g/mol, XLogP of 5.44, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diethylundecan-6-imine is sourced from PubChem (CID 87156941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).