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

C20H35N — CID 126626585

IUPACN-[(E)-2-ethenyl-3-hexylnon-1-enyl]prop-2-en-1-imine
SMILESC=C/C=N/C=C(\C=C)C(CCCCCC)CCCCCC
InChIInChI=1S/C20H35N/c1-5-9-11-13-15-20(16-14-12-10-6-2)19(8-4)18-21-17-7-3/h7-8,17-18,20H,3-6,9-16H2,1-2H3/b19-18+,21-17+
InChIKeyCVYXNIVGOYECHA-ZLCNDXOISA-N
MW289.51 g/mol
LogP6.87
Rot. Bonds14

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

N-[(E)-2-ethenyl-3-hexylnon-1-enyl]prop-2-en-1-imine (PubChem CID 126626585) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N-[(E)-2-ethenyl-3-hexylnon-1-enyl]prop-2-en-1-imine.

Molecular Properties

Compound NameN-[(E)-2-ethenyl-3-hexylnon-1-enyl]prop-2-en-1-imine
PubChem CID126626585
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN-[(E)-2-ethenyl-3-hexylnon-1-enyl]prop-2-en-1-imine
SMILESC=C/C=N/C=C(\C=C)C(CCCCCC)CCCCCC
InChIInChI=1S/C20H35N/c1-5-9-11-13-15-20(16-14-12-10-6-2)19(8-4)18-21-17-7-3/h7-8,17-18,20H,3-6,9-16H2,1-2H3/b19-18+,21-17+
InChIKeyCVYXNIVGOYECHA-ZLCNDXOISA-N
XLogP6.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 56.87
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-hexylnon-1-enyl]prop-2-en-1-imine?
The IUPAC name of N-[(E)-2-ethenyl-3-hexylnon-1-enyl]prop-2-en-1-imine (CID 126626585) is N-[(E)-2-ethenyl-3-hexylnon-1-enyl]prop-2-en-1-imine.
What is the SMILES notation for N-[(E)-2-ethenyl-3-hexylnon-1-enyl]prop-2-en-1-imine?
The canonical SMILES for N-[(E)-2-ethenyl-3-hexylnon-1-enyl]prop-2-en-1-imine is C=C/C=N/C=C(\C=C)C(CCCCCC)CCCCCC.
What is the InChIKey of N-[(E)-2-ethenyl-3-hexylnon-1-enyl]prop-2-en-1-imine?
The InChIKey is CVYXNIVGOYECHA-ZLCNDXOISA-N. The full InChI is InChI=1S/C20H35N/c1-5-9-11-13-15-20(16-14-12-10-6-2)19(8-4)18-21-17-7-3/h7-8,17-18,20H,3-6,9-16H2,1-2H3/b19-18+,21-17+.
What are the key properties of N-[(E)-2-ethenyl-3-hexylnon-1-enyl]prop-2-en-1-imine?
N-[(E)-2-ethenyl-3-hexylnon-1-enyl]prop-2-en-1-imine has a molecular weight of 289.51 g/mol, XLogP of 6.87, 14 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-hexylnon-1-enyl]prop-2-en-1-imine is sourced from PubChem (CID 126626585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).