(2S)-1-[(Z)-dodec-9-enoxy]undecan-2-amine

C23H47NO — CID 87174213

IUPAC(2S)-1-[(Z)-dodec-9-enoxy]undecan-2-amine
SMILESCC/C=C\CCCCCCCCOC[C@@H](N)CCCCCCCCC
InChIInChI=1S/C23H47NO/c1-3-5-7-9-11-12-13-15-17-19-21-25-22-23(24)20-18-16-14-10-8-6-4-2/h5,7,23H,3-4,6,8-22,24H2,1-2H3/b7-5-/t23-/m0/s1
InChIKeyYXKMZXGZUPXHKW-DADDIACRSA-N
MW353.64 g/mol
LogP7.17
Rot. Bonds20

About (2S)-1-[(Z)-dodec-9-enoxy]undecan-2-amine

(2S)-1-[(Z)-dodec-9-enoxy]undecan-2-amine (PubChem CID 87174213) has the molecular formula C23H47NO and a molecular weight of 353.64 g/mol. Its IUPAC name is (2S)-1-[(Z)-dodec-9-enoxy]undecan-2-amine.

Molecular Properties

Compound Name(2S)-1-[(Z)-dodec-9-enoxy]undecan-2-amine
PubChem CID87174213
Molecular FormulaC23H47NO
Molecular Weight353.64 g/mol
Exact Mass353.37
IUPAC Name(2S)-1-[(Z)-dodec-9-enoxy]undecan-2-amine
SMILESCC/C=C\CCCCCCCCOC[C@@H](N)CCCCCCCCC
InChIInChI=1S/C23H47NO/c1-3-5-7-9-11-12-13-15-17-19-21-25-22-23(24)20-18-16-14-10-8-6-4-2/h5,7,23H,3-4,6,8-22,24H2,1-2H3/b7-5-/t23-/m0/s1
InChIKeyYXKMZXGZUPXHKW-DADDIACRSA-N
XLogP7.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.64
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(Z)-dodec-9-enoxy]undecan-2-amine?
The IUPAC name of (2S)-1-[(Z)-dodec-9-enoxy]undecan-2-amine (CID 87174213) is (2S)-1-[(Z)-dodec-9-enoxy]undecan-2-amine.
What is the SMILES notation for (2S)-1-[(Z)-dodec-9-enoxy]undecan-2-amine?
The canonical SMILES for (2S)-1-[(Z)-dodec-9-enoxy]undecan-2-amine is CC/C=C\CCCCCCCCOC[C@@H](N)CCCCCCCCC.
What is the InChIKey of (2S)-1-[(Z)-dodec-9-enoxy]undecan-2-amine?
The InChIKey is YXKMZXGZUPXHKW-DADDIACRSA-N. The full InChI is InChI=1S/C23H47NO/c1-3-5-7-9-11-12-13-15-17-19-21-25-22-23(24)20-18-16-14-10-8-6-4-2/h5,7,23H,3-4,6,8-22,24H2,1-2H3/b7-5-/t23-/m0/s1.
What are the key properties of (2S)-1-[(Z)-dodec-9-enoxy]undecan-2-amine?
(2S)-1-[(Z)-dodec-9-enoxy]undecan-2-amine has a molecular weight of 353.64 g/mol, XLogP of 7.17, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(Z)-dodec-9-enoxy]undecan-2-amine is sourced from PubChem (CID 87174213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).