N-[12-(hexan-3-ylideneamino)dodec-11-enyl]hexan-3-imine

C24H46N2 — CID 142789571

IUPACN-[12-(hexan-3-ylideneamino)dodec-11-enyl]hexan-3-imine
SMILESCCC/C(CC)=N/C=CCCCCCCCCCC/N=C(\CC)CCC
InChIInChI=1S/C24H46N2/c1-5-19-23(7-3)25-21-17-15-13-11-9-10-12-14-16-18-22-26-24(8-4)20-6-2/h17,21H,5-16,18-20,22H2,1-4H3/b21-17?,25-23+,26-24+
InChIKeyUIANZZJXKFQABV-VALDDDROSA-N
MW362.65 g/mol
LogP8.31
Rot. Bonds18

About N-[12-(hexan-3-ylideneamino)dodec-11-enyl]hexan-3-imine

N-[12-(hexan-3-ylideneamino)dodec-11-enyl]hexan-3-imine (PubChem CID 142789571) has the molecular formula C24H46N2 and a molecular weight of 362.65 g/mol. Its IUPAC name is N-[12-(hexan-3-ylideneamino)dodec-11-enyl]hexan-3-imine.

Molecular Properties

Compound NameN-[12-(hexan-3-ylideneamino)dodec-11-enyl]hexan-3-imine
PubChem CID142789571
Molecular FormulaC24H46N2
Molecular Weight362.65 g/mol
Exact Mass362.37
IUPAC NameN-[12-(hexan-3-ylideneamino)dodec-11-enyl]hexan-3-imine
SMILESCCC/C(CC)=N/C=CCCCCCCCCCC/N=C(\CC)CCC
InChIInChI=1S/C24H46N2/c1-5-19-23(7-3)25-21-17-15-13-11-9-10-12-14-16-18-22-26-24(8-4)20-6-2/h17,21H,5-16,18-20,22H2,1-4H3/b21-17?,25-23+,26-24+
InChIKeyUIANZZJXKFQABV-VALDDDROSA-N
XLogP8.31
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.65
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Hex-5-enyl-2-nonyl-3,4-dihydro-2H-pyrrole
CID 14106263
2-Hex-5-enyl-5-non-8-enyl-3,4-dihydro-2H-pyrrole
CID 557705
2H-Pyrrole, 5-(5-hexenyl)-3,4-dihydro-2-(8-nonenyl)-
CID 158017
N-dodecyl-1-methylpyridin-4-imine
CID 14576932
N-dec-1-enyldecan-1-imine
CID 54403871
N-dodec-1-enylbutan-2-imine
CID 141138012
N-dec-1-enylbutan-2-imine
CID 141138013
2-heptadecyl-3H-pyrrole
CID 158298380
5-methyl-3,4-dihydro-2H-pyrrole;2-methyl-3H-pyrrole
CID 160112095
2-hex-5-enyl-5-nonyl-3,4-dihydro-2H-pyrrole
CID 162889339
(Z)-3-N-methyl-1-N-methylidenedec-1-ene-1,3-diimine
CID 166732976
N-octyl-3H-pyridin-4-imine
CID 172634671

Frequently Asked Questions

What is the IUPAC name of N-[12-(hexan-3-ylideneamino)dodec-11-enyl]hexan-3-imine?
The IUPAC name of N-[12-(hexan-3-ylideneamino)dodec-11-enyl]hexan-3-imine (CID 142789571) is N-[12-(hexan-3-ylideneamino)dodec-11-enyl]hexan-3-imine.
What is the SMILES notation for N-[12-(hexan-3-ylideneamino)dodec-11-enyl]hexan-3-imine?
The canonical SMILES for N-[12-(hexan-3-ylideneamino)dodec-11-enyl]hexan-3-imine is CCC/C(CC)=N/C=CCCCCCCCCCC/N=C(\CC)CCC.
What is the InChIKey of N-[12-(hexan-3-ylideneamino)dodec-11-enyl]hexan-3-imine?
The InChIKey is UIANZZJXKFQABV-VALDDDROSA-N. The full InChI is InChI=1S/C24H46N2/c1-5-19-23(7-3)25-21-17-15-13-11-9-10-12-14-16-18-22-26-24(8-4)20-6-2/h17,21H,5-16,18-20,22H2,1-4H3/b21-17?,25-23+,26-24+.
What are the key properties of N-[12-(hexan-3-ylideneamino)dodec-11-enyl]hexan-3-imine?
N-[12-(hexan-3-ylideneamino)dodec-11-enyl]hexan-3-imine has a molecular weight of 362.65 g/mol, XLogP of 8.31, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[12-(hexan-3-ylideneamino)dodec-11-enyl]hexan-3-imine is sourced from PubChem (CID 142789571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).