N-butyl-6-ethenylocta-5,7-dien-1-imine

C14H23N — CID 88589591

IUPACN-butyl-6-ethenylocta-5,7-dien-1-imine
SMILESC=CC(C=C)=CCCC/C=N/CCCC
InChIInChI=1S/C14H23N/c1-4-7-12-15-13-10-8-9-11-14(5-2)6-3/h5-6,11,13H,2-4,7-10,12H2,1H3/b15-13+
InChIKeyHBQHBDCQAHKTPQ-FYWRMAATSA-N
MW205.34 g/mol
LogP4.33
Rot. Bonds9

About N-butyl-6-ethenylocta-5,7-dien-1-imine

N-butyl-6-ethenylocta-5,7-dien-1-imine (PubChem CID 88589591) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-butyl-6-ethenylocta-5,7-dien-1-imine.

Molecular Properties

Compound NameN-butyl-6-ethenylocta-5,7-dien-1-imine
PubChem CID88589591
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-butyl-6-ethenylocta-5,7-dien-1-imine
SMILESC=CC(C=C)=CCCC/C=N/CCCC
InChIInChI=1S/C14H23N/c1-4-7-12-15-13-10-8-9-11-14(5-2)6-3/h5-6,11,13H,2-4,7-10,12H2,1H3/b15-13+
InChIKeyHBQHBDCQAHKTPQ-FYWRMAATSA-N
XLogP4.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.33
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-6-ethenylocta-5,7-dien-1-imine?
The IUPAC name of N-butyl-6-ethenylocta-5,7-dien-1-imine (CID 88589591) is N-butyl-6-ethenylocta-5,7-dien-1-imine.
What is the SMILES notation for N-butyl-6-ethenylocta-5,7-dien-1-imine?
The canonical SMILES for N-butyl-6-ethenylocta-5,7-dien-1-imine is C=CC(C=C)=CCCC/C=N/CCCC.
What is the InChIKey of N-butyl-6-ethenylocta-5,7-dien-1-imine?
The InChIKey is HBQHBDCQAHKTPQ-FYWRMAATSA-N. The full InChI is InChI=1S/C14H23N/c1-4-7-12-15-13-10-8-9-11-14(5-2)6-3/h5-6,11,13H,2-4,7-10,12H2,1H3/b15-13+.
What are the key properties of N-butyl-6-ethenylocta-5,7-dien-1-imine?
N-butyl-6-ethenylocta-5,7-dien-1-imine has a molecular weight of 205.34 g/mol, XLogP of 4.33, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-ethenylocta-5,7-dien-1-imine is sourced from PubChem (CID 88589591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).