(Z)-5-hexyl-N-[(Z)-prop-1-enyl]dodec-2-en-4-imine

C21H39N — CID 134420005

IUPAC(Z)-5-hexyl-N-[(Z)-prop-1-enyl]dodec-2-en-4-imine
SMILESC/C=C\N=C(\C=C/C)C(CCCCCC)CCCCCCC
InChIInChI=1S/C21H39N/c1-5-9-11-13-15-18-20(17-14-12-10-6-2)21(16-7-3)22-19-8-4/h7-8,16,19-20H,5-6,9-15,17-18H2,1-4H3/b16-7-,19-8-,22-21-
InChIKeyLHJNPVBFERZBDB-LIMOSYILSA-N
MW305.55 g/mol
LogP7.48
Rot. Bonds14

About (Z)-5-hexyl-N-[(Z)-prop-1-enyl]dodec-2-en-4-imine

(Z)-5-hexyl-N-[(Z)-prop-1-enyl]dodec-2-en-4-imine (PubChem CID 134420005) has the molecular formula C21H39N and a molecular weight of 305.55 g/mol. Its IUPAC name is (Z)-5-hexyl-N-[(Z)-prop-1-enyl]dodec-2-en-4-imine.

Molecular Properties

Compound Name(Z)-5-hexyl-N-[(Z)-prop-1-enyl]dodec-2-en-4-imine
PubChem CID134420005
Molecular FormulaC21H39N
Molecular Weight305.55 g/mol
Exact Mass305.31
IUPAC Name(Z)-5-hexyl-N-[(Z)-prop-1-enyl]dodec-2-en-4-imine
SMILESC/C=C\N=C(\C=C/C)C(CCCCCC)CCCCCCC
InChIInChI=1S/C21H39N/c1-5-9-11-13-15-18-20(17-14-12-10-6-2)21(16-7-3)22-19-8-4/h7-8,16,19-20H,5-6,9-15,17-18H2,1-4H3/b16-7-,19-8-,22-21-
InChIKeyLHJNPVBFERZBDB-LIMOSYILSA-N
XLogP7.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.55
LogP ≤ 57.48
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-hexyl-N-[(Z)-prop-1-enyl]dodec-2-en-4-imine?
The IUPAC name of (Z)-5-hexyl-N-[(Z)-prop-1-enyl]dodec-2-en-4-imine (CID 134420005) is (Z)-5-hexyl-N-[(Z)-prop-1-enyl]dodec-2-en-4-imine.
What is the SMILES notation for (Z)-5-hexyl-N-[(Z)-prop-1-enyl]dodec-2-en-4-imine?
The canonical SMILES for (Z)-5-hexyl-N-[(Z)-prop-1-enyl]dodec-2-en-4-imine is C/C=C\N=C(\C=C/C)C(CCCCCC)CCCCCCC.
What is the InChIKey of (Z)-5-hexyl-N-[(Z)-prop-1-enyl]dodec-2-en-4-imine?
The InChIKey is LHJNPVBFERZBDB-LIMOSYILSA-N. The full InChI is InChI=1S/C21H39N/c1-5-9-11-13-15-18-20(17-14-12-10-6-2)21(16-7-3)22-19-8-4/h7-8,16,19-20H,5-6,9-15,17-18H2,1-4H3/b16-7-,19-8-,22-21-.
What are the key properties of (Z)-5-hexyl-N-[(Z)-prop-1-enyl]dodec-2-en-4-imine?
(Z)-5-hexyl-N-[(Z)-prop-1-enyl]dodec-2-en-4-imine has a molecular weight of 305.55 g/mol, XLogP of 7.48, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-hexyl-N-[(Z)-prop-1-enyl]dodec-2-en-4-imine is sourced from PubChem (CID 134420005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).