1-(2-hydroxydodecylamino)tetradec-3-en-1-ol

C26H53NO2 — CID 57036963

IUPAC1-(2-hydroxydodecylamino)tetradec-3-en-1-ol
SMILESCCCCCCCCCCC=CCC(O)NCC(O)CCCCCCCCCC
InChIInChI=1S/C26H53NO2/c1-3-5-7-9-11-13-14-15-17-19-21-23-26(29)27-24-25(28)22-20-18-16-12-10-8-6-4-2/h19,21,25-29H,3-18,20,22-24H2,1-2H3
InChIKeyIZGXQAHUNVSBIO-UHFFFAOYSA-N
MW411.72 g/mol
LogP7.26
Rot. Bonds23

About 1-(2-hydroxydodecylamino)tetradec-3-en-1-ol

1-(2-hydroxydodecylamino)tetradec-3-en-1-ol (PubChem CID 57036963) has the molecular formula C26H53NO2 and a molecular weight of 411.72 g/mol. Its IUPAC name is 1-(2-hydroxydodecylamino)tetradec-3-en-1-ol.

Molecular Properties

Compound Name1-(2-hydroxydodecylamino)tetradec-3-en-1-ol
PubChem CID57036963
Molecular FormulaC26H53NO2
Molecular Weight411.72 g/mol
Exact Mass411.41
IUPAC Name1-(2-hydroxydodecylamino)tetradec-3-en-1-ol
SMILESCCCCCCCCCCC=CCC(O)NCC(O)CCCCCCCCCC
InChIInChI=1S/C26H53NO2/c1-3-5-7-9-11-13-14-15-17-19-21-23-26(29)27-24-25(28)22-20-18-16-12-10-8-6-4-2/h19,21,25-29H,3-18,20,22-24H2,1-2H3
InChIKeyIZGXQAHUNVSBIO-UHFFFAOYSA-N
XLogP7.26
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.72
LogP ≤ 57.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(2-hydroxydodecylamino)tetradec-3-en-1-ol?
The IUPAC name of 1-(2-hydroxydodecylamino)tetradec-3-en-1-ol (CID 57036963) is 1-(2-hydroxydodecylamino)tetradec-3-en-1-ol.
What is the SMILES notation for 1-(2-hydroxydodecylamino)tetradec-3-en-1-ol?
The canonical SMILES for 1-(2-hydroxydodecylamino)tetradec-3-en-1-ol is CCCCCCCCCCC=CCC(O)NCC(O)CCCCCCCCCC.
What is the InChIKey of 1-(2-hydroxydodecylamino)tetradec-3-en-1-ol?
The InChIKey is IZGXQAHUNVSBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53NO2/c1-3-5-7-9-11-13-14-15-17-19-21-23-26(29)27-24-25(28)22-20-18-16-12-10-8-6-4-2/h19,21,25-29H,3-18,20,22-24H2,1-2H3.
What are the key properties of 1-(2-hydroxydodecylamino)tetradec-3-en-1-ol?
1-(2-hydroxydodecylamino)tetradec-3-en-1-ol has a molecular weight of 411.72 g/mol, XLogP of 7.26, 23 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxydodecylamino)tetradec-3-en-1-ol is sourced from PubChem (CID 57036963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).