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

C24H49NO — CID 174322092

IUPAC1-[[(Z)-octadec-9-enyl]amino]hexan-2-ol
SMILESCCCCCCCC/C=C\CCCCCCCCNCC(O)CCCC
InChIInChI=1S/C24H49NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-23-24(26)21-6-4-2/h12-13,24-26H,3-11,14-23H2,1-2H3/b13-12-
InChIKeyIDJQENWKBCAYCF-SEYXRHQNSA-N
MW367.66 g/mol
LogP7.16
Rot. Bonds21

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

1-[[(Z)-octadec-9-enyl]amino]hexan-2-ol (PubChem CID 174322092) has the molecular formula C24H49NO and a molecular weight of 367.66 g/mol. Its IUPAC name is 1-[[(Z)-octadec-9-enyl]amino]hexan-2-ol.

Molecular Properties

Compound Name1-[[(Z)-octadec-9-enyl]amino]hexan-2-ol
PubChem CID174322092
Molecular FormulaC24H49NO
Molecular Weight367.66 g/mol
Exact Mass367.38
IUPAC Name1-[[(Z)-octadec-9-enyl]amino]hexan-2-ol
SMILESCCCCCCCC/C=C\CCCCCCCCNCC(O)CCCC
InChIInChI=1S/C24H49NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-23-24(26)21-6-4-2/h12-13,24-26H,3-11,14-23H2,1-2H3/b13-12-
InChIKeyIDJQENWKBCAYCF-SEYXRHQNSA-N
XLogP7.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.66
LogP ≤ 57.16
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]hexan-2-ol?
The IUPAC name of 1-[[(Z)-octadec-9-enyl]amino]hexan-2-ol (CID 174322092) is 1-[[(Z)-octadec-9-enyl]amino]hexan-2-ol.
What is the SMILES notation for 1-[[(Z)-octadec-9-enyl]amino]hexan-2-ol?
The canonical SMILES for 1-[[(Z)-octadec-9-enyl]amino]hexan-2-ol is CCCCCCCC/C=C\CCCCCCCCNCC(O)CCCC.
What is the InChIKey of 1-[[(Z)-octadec-9-enyl]amino]hexan-2-ol?
The InChIKey is IDJQENWKBCAYCF-SEYXRHQNSA-N. The full InChI is InChI=1S/C24H49NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-23-24(26)21-6-4-2/h12-13,24-26H,3-11,14-23H2,1-2H3/b13-12-.
What are the key properties of 1-[[(Z)-octadec-9-enyl]amino]hexan-2-ol?
1-[[(Z)-octadec-9-enyl]amino]hexan-2-ol has a molecular weight of 367.66 g/mol, XLogP of 7.16, 21 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]hexan-2-ol is sourced from PubChem (CID 174322092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).