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

C21H37N — CID 138705416

IUPAC(E)-N,3-bis(ethenyl)-4-hexylundec-2-en-1-imine
SMILESC=C/N=C/C=C(\C=C)C(CCCCCC)CCCCCCC
InChIInChI=1S/C21H37N/c1-5-9-11-13-15-17-21(16-14-12-10-6-2)20(7-3)18-19-22-8-4/h7-8,18-19,21H,3-6,9-17H2,1-2H3/b20-18+,22-19+
InChIKeyFNRYZOHDTMAHPD-LNELDATLSA-N
MW303.53 g/mol
LogP7.26
Rot. Bonds15

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

(E)-N,3-bis(ethenyl)-4-hexylundec-2-en-1-imine (PubChem CID 138705416) has the molecular formula C21H37N and a molecular weight of 303.53 g/mol. Its IUPAC name is (E)-N,3-bis(ethenyl)-4-hexylundec-2-en-1-imine.

Molecular Properties

Compound Name(E)-N,3-bis(ethenyl)-4-hexylundec-2-en-1-imine
PubChem CID138705416
Molecular FormulaC21H37N
Molecular Weight303.53 g/mol
Exact Mass303.29
IUPAC Name(E)-N,3-bis(ethenyl)-4-hexylundec-2-en-1-imine
SMILESC=C/N=C/C=C(\C=C)C(CCCCCC)CCCCCCC
InChIInChI=1S/C21H37N/c1-5-9-11-13-15-17-21(16-14-12-10-6-2)20(7-3)18-19-22-8-4/h7-8,18-19,21H,3-6,9-17H2,1-2H3/b20-18+,22-19+
InChIKeyFNRYZOHDTMAHPD-LNELDATLSA-N
XLogP7.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.53
LogP ≤ 57.26
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)-N,3-bis(ethenyl)-4-hexylundec-2-en-1-imine?
The IUPAC name of (E)-N,3-bis(ethenyl)-4-hexylundec-2-en-1-imine (CID 138705416) is (E)-N,3-bis(ethenyl)-4-hexylundec-2-en-1-imine.
What is the SMILES notation for (E)-N,3-bis(ethenyl)-4-hexylundec-2-en-1-imine?
The canonical SMILES for (E)-N,3-bis(ethenyl)-4-hexylundec-2-en-1-imine is C=C/N=C/C=C(\C=C)C(CCCCCC)CCCCCCC.
What is the InChIKey of (E)-N,3-bis(ethenyl)-4-hexylundec-2-en-1-imine?
The InChIKey is FNRYZOHDTMAHPD-LNELDATLSA-N. The full InChI is InChI=1S/C21H37N/c1-5-9-11-13-15-17-21(16-14-12-10-6-2)20(7-3)18-19-22-8-4/h7-8,18-19,21H,3-6,9-17H2,1-2H3/b20-18+,22-19+.
What are the key properties of (E)-N,3-bis(ethenyl)-4-hexylundec-2-en-1-imine?
(E)-N,3-bis(ethenyl)-4-hexylundec-2-en-1-imine has a molecular weight of 303.53 g/mol, XLogP of 7.26, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,3-bis(ethenyl)-4-hexylundec-2-en-1-imine is sourced from PubChem (CID 138705416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).