(E)-4-butyl-N,3-bis(ethenyl)dec-2-en-1-imine

C18H31N — CID 137439453

IUPAC(E)-4-butyl-N,3-bis(ethenyl)dec-2-en-1-imine
SMILESC=C/N=C/C=C(\C=C)C(CCCC)CCCCCC
InChIInChI=1S/C18H31N/c1-5-9-11-12-14-18(13-10-6-2)17(7-3)15-16-19-8-4/h7-8,15-16,18H,3-6,9-14H2,1-2H3/b17-15+,19-16+
InChIKeyWOKXWCQAFKOFKA-WFTRPWEDSA-N
MW261.45 g/mol
LogP6.09
Rot. Bonds12

About (E)-4-butyl-N,3-bis(ethenyl)dec-2-en-1-imine

(E)-4-butyl-N,3-bis(ethenyl)dec-2-en-1-imine (PubChem CID 137439453) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is (E)-4-butyl-N,3-bis(ethenyl)dec-2-en-1-imine.

Molecular Properties

Compound Name(E)-4-butyl-N,3-bis(ethenyl)dec-2-en-1-imine
PubChem CID137439453
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name(E)-4-butyl-N,3-bis(ethenyl)dec-2-en-1-imine
SMILESC=C/N=C/C=C(\C=C)C(CCCC)CCCCCC
InChIInChI=1S/C18H31N/c1-5-9-11-12-14-18(13-10-6-2)17(7-3)15-16-19-8-4/h7-8,15-16,18H,3-6,9-14H2,1-2H3/b17-15+,19-16+
InChIKeyWOKXWCQAFKOFKA-WFTRPWEDSA-N
XLogP6.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 56.09
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 (E)-4-butyl-N,3-bis(ethenyl)dec-2-en-1-imine?
The IUPAC name of (E)-4-butyl-N,3-bis(ethenyl)dec-2-en-1-imine (CID 137439453) is (E)-4-butyl-N,3-bis(ethenyl)dec-2-en-1-imine.
What is the SMILES notation for (E)-4-butyl-N,3-bis(ethenyl)dec-2-en-1-imine?
The canonical SMILES for (E)-4-butyl-N,3-bis(ethenyl)dec-2-en-1-imine is C=C/N=C/C=C(\C=C)C(CCCC)CCCCCC.
What is the InChIKey of (E)-4-butyl-N,3-bis(ethenyl)dec-2-en-1-imine?
The InChIKey is WOKXWCQAFKOFKA-WFTRPWEDSA-N. The full InChI is InChI=1S/C18H31N/c1-5-9-11-12-14-18(13-10-6-2)17(7-3)15-16-19-8-4/h7-8,15-16,18H,3-6,9-14H2,1-2H3/b17-15+,19-16+.
What are the key properties of (E)-4-butyl-N,3-bis(ethenyl)dec-2-en-1-imine?
(E)-4-butyl-N,3-bis(ethenyl)dec-2-en-1-imine has a molecular weight of 261.45 g/mol, XLogP of 6.09, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-butyl-N,3-bis(ethenyl)dec-2-en-1-imine is sourced from PubChem (CID 137439453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).