N-dodec-1-enylbutan-2-imine

C16H31N — CID 141138012

IUPACN-dodec-1-enylbutan-2-imine
SMILESCCCCCCCCCCC=C/N=C(\C)CC
InChIInChI=1S/C16H31N/c1-4-6-7-8-9-10-11-12-13-14-15-17-16(3)5-2/h14-15H,4-13H2,1-3H3/b15-14?,17-16+
InChIKeyNJVUORMWFQSPAG-KRPOFHJFSA-N
MW237.43 g/mol
LogP5.90
Rot. Bonds11

About N-dodec-1-enylbutan-2-imine

N-dodec-1-enylbutan-2-imine (PubChem CID 141138012) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-dodec-1-enylbutan-2-imine.

Molecular Properties

Compound NameN-dodec-1-enylbutan-2-imine
PubChem CID141138012
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-dodec-1-enylbutan-2-imine
SMILESCCCCCCCCCCC=C/N=C(\C)CC
InChIInChI=1S/C16H31N/c1-4-6-7-8-9-10-11-12-13-14-15-17-16(3)5-2/h14-15H,4-13H2,1-3H3/b15-14?,17-16+
InChIKeyNJVUORMWFQSPAG-KRPOFHJFSA-N
XLogP5.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.43
LogP ≤ 55.90
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 N-dodec-1-enylbutan-2-imine?
The IUPAC name of N-dodec-1-enylbutan-2-imine (CID 141138012) is N-dodec-1-enylbutan-2-imine.
What is the SMILES notation for N-dodec-1-enylbutan-2-imine?
The canonical SMILES for N-dodec-1-enylbutan-2-imine is CCCCCCCCCCC=C/N=C(\C)CC.
What is the InChIKey of N-dodec-1-enylbutan-2-imine?
The InChIKey is NJVUORMWFQSPAG-KRPOFHJFSA-N. The full InChI is InChI=1S/C16H31N/c1-4-6-7-8-9-10-11-12-13-14-15-17-16(3)5-2/h14-15H,4-13H2,1-3H3/b15-14?,17-16+.
What are the key properties of N-dodec-1-enylbutan-2-imine?
N-dodec-1-enylbutan-2-imine has a molecular weight of 237.43 g/mol, XLogP of 5.90, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodec-1-enylbutan-2-imine is sourced from PubChem (CID 141138012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).