1,12-bis(4-ethenylphenyl)dodecan-1-imine

C28H37N — CID 176897095

IUPAC1,12-bis(4-ethenylphenyl)dodecan-1-imine
SMILES[H]/N=C(\CCCCCCCCCCCc1ccc(C=C)cc1)c1ccc(C=C)cc1
InChIInChI=1S/C28H37N/c1-3-24-16-18-26(19-17-24)14-12-10-8-6-5-7-9-11-13-15-28(29)27-22-20-25(4-2)21-23-27/h3-4,16-23,29H,1-2,5-15H2/b29-28+
InChIKeyFTNQHWFIAUGYFR-ZQHSETAFSA-N
MW387.61 g/mol
LogP8.48
Rot. Bonds15

About 1,12-bis(4-ethenylphenyl)dodecan-1-imine

1,12-bis(4-ethenylphenyl)dodecan-1-imine (PubChem CID 176897095) has the molecular formula C28H37N and a molecular weight of 387.61 g/mol. Its IUPAC name is 1,12-bis(4-ethenylphenyl)dodecan-1-imine.

Molecular Properties

Compound Name1,12-bis(4-ethenylphenyl)dodecan-1-imine
PubChem CID176897095
Molecular FormulaC28H37N
Molecular Weight387.61 g/mol
Exact Mass387.29
IUPAC Name1,12-bis(4-ethenylphenyl)dodecan-1-imine
SMILES[H]/N=C(\CCCCCCCCCCCc1ccc(C=C)cc1)c1ccc(C=C)cc1
InChIInChI=1S/C28H37N/c1-3-24-16-18-26(19-17-24)14-12-10-8-6-5-7-9-11-13-15-28(29)27-22-20-25(4-2)21-23-27/h3-4,16-23,29H,1-2,5-15H2/b29-28+
InChIKeyFTNQHWFIAUGYFR-ZQHSETAFSA-N
XLogP8.48
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.61
LogP ≤ 58.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,12-bis(4-ethenylphenyl)dodecan-1-imine?
The IUPAC name of 1,12-bis(4-ethenylphenyl)dodecan-1-imine (CID 176897095) is 1,12-bis(4-ethenylphenyl)dodecan-1-imine.
What is the SMILES notation for 1,12-bis(4-ethenylphenyl)dodecan-1-imine?
The canonical SMILES for 1,12-bis(4-ethenylphenyl)dodecan-1-imine is [H]/N=C(\CCCCCCCCCCCc1ccc(C=C)cc1)c1ccc(C=C)cc1.
What is the InChIKey of 1,12-bis(4-ethenylphenyl)dodecan-1-imine?
The InChIKey is FTNQHWFIAUGYFR-ZQHSETAFSA-N. The full InChI is InChI=1S/C28H37N/c1-3-24-16-18-26(19-17-24)14-12-10-8-6-5-7-9-11-13-15-28(29)27-22-20-25(4-2)21-23-27/h3-4,16-23,29H,1-2,5-15H2/b29-28+.
What are the key properties of 1,12-bis(4-ethenylphenyl)dodecan-1-imine?
1,12-bis(4-ethenylphenyl)dodecan-1-imine has a molecular weight of 387.61 g/mol, XLogP of 8.48, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,12-bis(4-ethenylphenyl)dodecan-1-imine is sourced from PubChem (CID 176897095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).