6-hex-5-enyl-6-(methylamino)dodec-11-enal

C19H35NO — CID 137495884

IUPAC6-hex-5-enyl-6-(methylamino)dodec-11-enal
SMILESC=CCCCCC(CCCCC=C)(CCCCC=O)NC
InChIInChI=1S/C19H35NO/c1-4-6-8-11-15-19(20-3,16-12-9-7-5-2)17-13-10-14-18-21/h4-5,18,20H,1-2,6-17H2,3H3
InChIKeyMBZVTVVYZXVKSH-UHFFFAOYSA-N
MW293.50 g/mol
LogP5.20
Rot. Bonds16

About 6-hex-5-enyl-6-(methylamino)dodec-11-enal

6-hex-5-enyl-6-(methylamino)dodec-11-enal (PubChem CID 137495884) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 6-hex-5-enyl-6-(methylamino)dodec-11-enal.

Molecular Properties

Compound Name6-hex-5-enyl-6-(methylamino)dodec-11-enal
PubChem CID137495884
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name6-hex-5-enyl-6-(methylamino)dodec-11-enal
SMILESC=CCCCCC(CCCCC=C)(CCCCC=O)NC
InChIInChI=1S/C19H35NO/c1-4-6-8-11-15-19(20-3,16-12-9-7-5-2)17-13-10-14-18-21/h4-5,18,20H,1-2,6-17H2,3H3
InChIKeyMBZVTVVYZXVKSH-UHFFFAOYSA-N
XLogP5.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.50
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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henicos-20-enal
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nonanal;oct-1-ene
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heptanal;hept-1-ene
CID 174946758
(2S)-2-methyl-2-(methylamino)oct-7-enoic acid
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(2R)-2-methyl-2-(methylamino)dec-9-enoic acid
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heptadeca-12,16-dienal
CID 141026254
7-fluoro-7-methyloct-1-ene
CID 87159398
5-non-8-enyltetradec-13-enal
CID 155605589
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CID 107010664

Frequently Asked Questions

What is the IUPAC name of 6-hex-5-enyl-6-(methylamino)dodec-11-enal?
The IUPAC name of 6-hex-5-enyl-6-(methylamino)dodec-11-enal (CID 137495884) is 6-hex-5-enyl-6-(methylamino)dodec-11-enal.
What is the SMILES notation for 6-hex-5-enyl-6-(methylamino)dodec-11-enal?
The canonical SMILES for 6-hex-5-enyl-6-(methylamino)dodec-11-enal is C=CCCCCC(CCCCC=C)(CCCCC=O)NC.
What is the InChIKey of 6-hex-5-enyl-6-(methylamino)dodec-11-enal?
The InChIKey is MBZVTVVYZXVKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-4-6-8-11-15-19(20-3,16-12-9-7-5-2)17-13-10-14-18-21/h4-5,18,20H,1-2,6-17H2,3H3.
What are the key properties of 6-hex-5-enyl-6-(methylamino)dodec-11-enal?
6-hex-5-enyl-6-(methylamino)dodec-11-enal has a molecular weight of 293.50 g/mol, XLogP of 5.20, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hex-5-enyl-6-(methylamino)dodec-11-enal is sourced from PubChem (CID 137495884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).