1-[[(Z)-octadec-9-enyl]amino]ethanol

C20H41NO — CID 87096138

IUPAC1-[[(Z)-octadec-9-enyl]amino]ethanol
SMILESCCCCCCCC/C=C\CCCCCCCCNC(C)O
InChIInChI=1S/C20H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-20(2)22/h10-11,20-22H,3-9,12-19H2,1-2H3/b11-10-
InChIKeyOMZRVMAAFJSCGI-KHPPLWFESA-N
MW311.55 g/mol
LogP5.95
Rot. Bonds17

About 1-[[(Z)-octadec-9-enyl]amino]ethanol

1-[[(Z)-octadec-9-enyl]amino]ethanol (PubChem CID 87096138) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is 1-[[(Z)-octadec-9-enyl]amino]ethanol.

Molecular Properties

Compound Name1-[[(Z)-octadec-9-enyl]amino]ethanol
PubChem CID87096138
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC Name1-[[(Z)-octadec-9-enyl]amino]ethanol
SMILESCCCCCCCC/C=C\CCCCCCCCNC(C)O
InChIInChI=1S/C20H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-20(2)22/h10-11,20-22H,3-9,12-19H2,1-2H3/b11-10-
InChIKeyOMZRVMAAFJSCGI-KHPPLWFESA-N
XLogP5.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(Z)-octadec-9-enyl]amino]ethanol?
The IUPAC name of 1-[[(Z)-octadec-9-enyl]amino]ethanol (CID 87096138) is 1-[[(Z)-octadec-9-enyl]amino]ethanol.
What is the SMILES notation for 1-[[(Z)-octadec-9-enyl]amino]ethanol?
The canonical SMILES for 1-[[(Z)-octadec-9-enyl]amino]ethanol is CCCCCCCC/C=C\CCCCCCCCNC(C)O.
What is the InChIKey of 1-[[(Z)-octadec-9-enyl]amino]ethanol?
The InChIKey is OMZRVMAAFJSCGI-KHPPLWFESA-N. The full InChI is InChI=1S/C20H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-20(2)22/h10-11,20-22H,3-9,12-19H2,1-2H3/b11-10-.
What are the key properties of 1-[[(Z)-octadec-9-enyl]amino]ethanol?
1-[[(Z)-octadec-9-enyl]amino]ethanol has a molecular weight of 311.55 g/mol, XLogP of 5.95, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(Z)-octadec-9-enyl]amino]ethanol is sourced from PubChem (CID 87096138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).