N-butyl-5-ethenyloct-7-en-1-imine

C14H25N — CID 89392711

IUPACN-butyl-5-ethenyloct-7-en-1-imine
SMILESC=CCC(C=C)CCC/C=N/CCCC
InChIInChI=1S/C14H25N/c1-4-7-12-15-13-9-8-11-14(6-3)10-5-2/h5-6,13-14H,2-4,7-12H2,1H3/b15-13+
InChIKeyMTJPUEFXXKQWHO-FYWRMAATSA-N
MW207.36 g/mol
LogP4.41
Rot. Bonds10

About N-butyl-5-ethenyloct-7-en-1-imine

N-butyl-5-ethenyloct-7-en-1-imine (PubChem CID 89392711) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-butyl-5-ethenyloct-7-en-1-imine.

Molecular Properties

Compound NameN-butyl-5-ethenyloct-7-en-1-imine
PubChem CID89392711
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-butyl-5-ethenyloct-7-en-1-imine
SMILESC=CCC(C=C)CCC/C=N/CCCC
InChIInChI=1S/C14H25N/c1-4-7-12-15-13-9-8-11-14(6-3)10-5-2/h5-6,13-14H,2-4,7-12H2,1H3/b15-13+
InChIKeyMTJPUEFXXKQWHO-FYWRMAATSA-N
XLogP4.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
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 N-butyl-5-ethenyloct-7-en-1-imine?
The IUPAC name of N-butyl-5-ethenyloct-7-en-1-imine (CID 89392711) is N-butyl-5-ethenyloct-7-en-1-imine.
What is the SMILES notation for N-butyl-5-ethenyloct-7-en-1-imine?
The canonical SMILES for N-butyl-5-ethenyloct-7-en-1-imine is C=CCC(C=C)CCC/C=N/CCCC.
What is the InChIKey of N-butyl-5-ethenyloct-7-en-1-imine?
The InChIKey is MTJPUEFXXKQWHO-FYWRMAATSA-N. The full InChI is InChI=1S/C14H25N/c1-4-7-12-15-13-9-8-11-14(6-3)10-5-2/h5-6,13-14H,2-4,7-12H2,1H3/b15-13+.
What are the key properties of N-butyl-5-ethenyloct-7-en-1-imine?
N-butyl-5-ethenyloct-7-en-1-imine has a molecular weight of 207.36 g/mol, XLogP of 4.41, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-ethenyloct-7-en-1-imine is sourced from PubChem (CID 89392711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).