3-[[(Z)-icos-11-enyl]amino]propan-1-ol

C23H47NO — CID 141139977

IUPAC3-[[(Z)-icos-11-enyl]amino]propan-1-ol
SMILESCCCCCCCC/C=C\CCCCCCCCCCNCCCO
InChIInChI=1S/C23H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-22-20-23-25/h9-10,24-25H,2-8,11-23H2,1H3/b10-9-
InChIKeyQTVRUCHHATXLBF-KTKRTIGZSA-N
MW353.64 g/mol
LogP6.78
Rot. Bonds21

About 3-[[(Z)-icos-11-enyl]amino]propan-1-ol

3-[[(Z)-icos-11-enyl]amino]propan-1-ol (PubChem CID 141139977) has the molecular formula C23H47NO and a molecular weight of 353.64 g/mol. Its IUPAC name is 3-[[(Z)-icos-11-enyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[(Z)-icos-11-enyl]amino]propan-1-ol
PubChem CID141139977
Molecular FormulaC23H47NO
Molecular Weight353.64 g/mol
Exact Mass353.37
IUPAC Name3-[[(Z)-icos-11-enyl]amino]propan-1-ol
SMILESCCCCCCCC/C=C\CCCCCCCCCCNCCCO
InChIInChI=1S/C23H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-22-20-23-25/h9-10,24-25H,2-8,11-23H2,1H3/b10-9-
InChIKeyQTVRUCHHATXLBF-KTKRTIGZSA-N
XLogP6.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.64
LogP ≤ 56.78
H-Bond Donors ≤ 52
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 3-[[(Z)-icos-11-enyl]amino]propan-1-ol?
The IUPAC name of 3-[[(Z)-icos-11-enyl]amino]propan-1-ol (CID 141139977) is 3-[[(Z)-icos-11-enyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[(Z)-icos-11-enyl]amino]propan-1-ol?
The canonical SMILES for 3-[[(Z)-icos-11-enyl]amino]propan-1-ol is CCCCCCCC/C=C\CCCCCCCCCCNCCCO.
What is the InChIKey of 3-[[(Z)-icos-11-enyl]amino]propan-1-ol?
The InChIKey is QTVRUCHHATXLBF-KTKRTIGZSA-N. The full InChI is InChI=1S/C23H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-22-20-23-25/h9-10,24-25H,2-8,11-23H2,1H3/b10-9-.
What are the key properties of 3-[[(Z)-icos-11-enyl]amino]propan-1-ol?
3-[[(Z)-icos-11-enyl]amino]propan-1-ol has a molecular weight of 353.64 g/mol, XLogP of 6.78, 21 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(Z)-icos-11-enyl]amino]propan-1-ol is sourced from PubChem (CID 141139977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).