5-butyl-N-[(E)-dodec-1-enyl]nonan-5-amine

C25H51N — CID 14693674

IUPAC5-butyl-N-[(E)-dodec-1-enyl]nonan-5-amine
SMILESCCCCCCCCCC/C=C/NC(CCCC)(CCCC)CCCC
InChIInChI=1S/C25H51N/c1-5-9-13-14-15-16-17-18-19-20-24-26-25(21-10-6-2,22-11-7-3)23-12-8-4/h20,24,26H,5-19,21-23H2,1-4H3/b24-20+
InChIKeyFXKOLSSMMCYDHT-HIXSDJFHSA-N
MW365.69 g/mol
LogP8.93
Rot. Bonds20

About 5-butyl-N-[(E)-dodec-1-enyl]nonan-5-amine

5-butyl-N-[(E)-dodec-1-enyl]nonan-5-amine (PubChem CID 14693674) has the molecular formula C25H51N and a molecular weight of 365.69 g/mol. Its IUPAC name is 5-butyl-N-[(E)-dodec-1-enyl]nonan-5-amine.

Molecular Properties

Compound Name5-butyl-N-[(E)-dodec-1-enyl]nonan-5-amine
PubChem CID14693674
Molecular FormulaC25H51N
Molecular Weight365.69 g/mol
Exact Mass365.40
IUPAC Name5-butyl-N-[(E)-dodec-1-enyl]nonan-5-amine
SMILESCCCCCCCCCC/C=C/NC(CCCC)(CCCC)CCCC
InChIInChI=1S/C25H51N/c1-5-9-13-14-15-16-17-18-19-20-24-26-25(21-10-6-2,22-11-7-3)23-12-8-4/h20,24,26H,5-19,21-23H2,1-4H3/b24-20+
InChIKeyFXKOLSSMMCYDHT-HIXSDJFHSA-N
XLogP8.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.69
LogP ≤ 58.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-N-[(E)-dodec-1-enyl]nonan-5-amine?
The IUPAC name of 5-butyl-N-[(E)-dodec-1-enyl]nonan-5-amine (CID 14693674) is 5-butyl-N-[(E)-dodec-1-enyl]nonan-5-amine.
What is the SMILES notation for 5-butyl-N-[(E)-dodec-1-enyl]nonan-5-amine?
The canonical SMILES for 5-butyl-N-[(E)-dodec-1-enyl]nonan-5-amine is CCCCCCCCCC/C=C/NC(CCCC)(CCCC)CCCC.
What is the InChIKey of 5-butyl-N-[(E)-dodec-1-enyl]nonan-5-amine?
The InChIKey is FXKOLSSMMCYDHT-HIXSDJFHSA-N. The full InChI is InChI=1S/C25H51N/c1-5-9-13-14-15-16-17-18-19-20-24-26-25(21-10-6-2,22-11-7-3)23-12-8-4/h20,24,26H,5-19,21-23H2,1-4H3/b24-20+.
What are the key properties of 5-butyl-N-[(E)-dodec-1-enyl]nonan-5-amine?
5-butyl-N-[(E)-dodec-1-enyl]nonan-5-amine has a molecular weight of 365.69 g/mol, XLogP of 8.93, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-N-[(E)-dodec-1-enyl]nonan-5-amine is sourced from PubChem (CID 14693674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).