1-[[(Z)-octadec-9-enyl]amino]propan-2-ol

C21H43NO — CID 14818773

IUPAC1-[[(Z)-octadec-9-enyl]amino]propan-2-ol
SMILESCCCCCCCC/C=C\CCCCCCCCNCC(C)O
InChIInChI=1S/C21H43NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20-21(2)23/h10-11,21-23H,3-9,12-20H2,1-2H3/b11-10-
InChIKeyJDAFEOLQWJYXFH-KHPPLWFESA-N
MW325.58 g/mol
LogP5.99
Rot. Bonds18

About 1-[[(Z)-octadec-9-enyl]amino]propan-2-ol

1-[[(Z)-octadec-9-enyl]amino]propan-2-ol (PubChem CID 14818773) has the molecular formula C21H43NO and a molecular weight of 325.58 g/mol. Its IUPAC name is 1-[[(Z)-octadec-9-enyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[(Z)-octadec-9-enyl]amino]propan-2-ol
PubChem CID14818773
Molecular FormulaC21H43NO
Molecular Weight325.58 g/mol
Exact Mass325.33
IUPAC Name1-[[(Z)-octadec-9-enyl]amino]propan-2-ol
SMILESCCCCCCCC/C=C\CCCCCCCCNCC(C)O
InChIInChI=1S/C21H43NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20-21(2)23/h10-11,21-23H,3-9,12-20H2,1-2H3/b11-10-
InChIKeyJDAFEOLQWJYXFH-KHPPLWFESA-N
XLogP5.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.58
LogP ≤ 55.99
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 1-[[(Z)-octadec-9-enyl]amino]propan-2-ol?
The IUPAC name of 1-[[(Z)-octadec-9-enyl]amino]propan-2-ol (CID 14818773) is 1-[[(Z)-octadec-9-enyl]amino]propan-2-ol.
What is the SMILES notation for 1-[[(Z)-octadec-9-enyl]amino]propan-2-ol?
The canonical SMILES for 1-[[(Z)-octadec-9-enyl]amino]propan-2-ol is CCCCCCCC/C=C\CCCCCCCCNCC(C)O.
What is the InChIKey of 1-[[(Z)-octadec-9-enyl]amino]propan-2-ol?
The InChIKey is JDAFEOLQWJYXFH-KHPPLWFESA-N. The full InChI is InChI=1S/C21H43NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20-21(2)23/h10-11,21-23H,3-9,12-20H2,1-2H3/b11-10-.
What are the key properties of 1-[[(Z)-octadec-9-enyl]amino]propan-2-ol?
1-[[(Z)-octadec-9-enyl]amino]propan-2-ol has a molecular weight of 325.58 g/mol, XLogP of 5.99, 18 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]propan-2-ol is sourced from PubChem (CID 14818773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).