N-[(E)-2-ethenyl-3-hexyldec-1-enyl]prop-2-en-1-imine

C21H37N — CID 134545997

IUPACN-[(E)-2-ethenyl-3-hexyldec-1-enyl]prop-2-en-1-imine
SMILESC=C/C=N/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(8-4)19-22-18-7-3/h7-8,18-19,21H,3-6,9-17H2,1-2H3/b20-19+,22-18+
InChIKeyMFABKPZAXSRKHK-LWEJJHOBSA-N
MW303.53 g/mol
LogP7.26
Rot. Bonds15

About N-[(E)-2-ethenyl-3-hexyldec-1-enyl]prop-2-en-1-imine

N-[(E)-2-ethenyl-3-hexyldec-1-enyl]prop-2-en-1-imine (PubChem CID 134545997) has the molecular formula C21H37N and a molecular weight of 303.53 g/mol. Its IUPAC name is N-[(E)-2-ethenyl-3-hexyldec-1-enyl]prop-2-en-1-imine.

Molecular Properties

Compound NameN-[(E)-2-ethenyl-3-hexyldec-1-enyl]prop-2-en-1-imine
PubChem CID134545997
Molecular FormulaC21H37N
Molecular Weight303.53 g/mol
Exact Mass303.29
IUPAC NameN-[(E)-2-ethenyl-3-hexyldec-1-enyl]prop-2-en-1-imine
SMILESC=C/C=N/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(8-4)19-22-18-7-3/h7-8,18-19,21H,3-6,9-17H2,1-2H3/b20-19+,22-18+
InChIKeyMFABKPZAXSRKHK-LWEJJHOBSA-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 N-[(E)-2-ethenyl-3-hexyldec-1-enyl]prop-2-en-1-imine?
The IUPAC name of N-[(E)-2-ethenyl-3-hexyldec-1-enyl]prop-2-en-1-imine (CID 134545997) is N-[(E)-2-ethenyl-3-hexyldec-1-enyl]prop-2-en-1-imine.
What is the SMILES notation for N-[(E)-2-ethenyl-3-hexyldec-1-enyl]prop-2-en-1-imine?
The canonical SMILES for N-[(E)-2-ethenyl-3-hexyldec-1-enyl]prop-2-en-1-imine is C=C/C=N/C=C(\C=C)C(CCCCCC)CCCCCCC.
What is the InChIKey of N-[(E)-2-ethenyl-3-hexyldec-1-enyl]prop-2-en-1-imine?
The InChIKey is MFABKPZAXSRKHK-LWEJJHOBSA-N. The full InChI is InChI=1S/C21H37N/c1-5-9-11-13-15-17-21(16-14-12-10-6-2)20(8-4)19-22-18-7-3/h7-8,18-19,21H,3-6,9-17H2,1-2H3/b20-19+,22-18+.
What are the key properties of N-[(E)-2-ethenyl-3-hexyldec-1-enyl]prop-2-en-1-imine?
N-[(E)-2-ethenyl-3-hexyldec-1-enyl]prop-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 N-[(E)-2-ethenyl-3-hexyldec-1-enyl]prop-2-en-1-imine is sourced from PubChem (CID 134545997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).