6-[bis(6-hydroxyhexyl)amino]-6-prop-2-enylnon-8-en-1-ol

C24H47NO3 — CID 87691384

IUPAC6-[bis(6-hydroxyhexyl)amino]-6-prop-2-enylnon-8-en-1-ol
SMILESC=CCC(CC=C)(CCCCCO)N(CCCCCCO)CCCCCCO
InChIInChI=1S/C24H47NO3/c1-3-16-24(17-4-2,18-10-9-15-23-28)25(19-11-5-7-13-21-26)20-12-6-8-14-22-27/h3-4,26-28H,1-2,5-23H2
InChIKeyXFWGKIIXNILTRA-UHFFFAOYSA-N
MW397.64 g/mol
LogP4.84
Rot. Bonds22

About 6-[bis(6-hydroxyhexyl)amino]-6-prop-2-enylnon-8-en-1-ol

6-[bis(6-hydroxyhexyl)amino]-6-prop-2-enylnon-8-en-1-ol (PubChem CID 87691384) has the molecular formula C24H47NO3 and a molecular weight of 397.64 g/mol. Its IUPAC name is 6-[bis(6-hydroxyhexyl)amino]-6-prop-2-enylnon-8-en-1-ol.

Molecular Properties

Compound Name6-[bis(6-hydroxyhexyl)amino]-6-prop-2-enylnon-8-en-1-ol
PubChem CID87691384
Molecular FormulaC24H47NO3
Molecular Weight397.64 g/mol
Exact Mass397.36
IUPAC Name6-[bis(6-hydroxyhexyl)amino]-6-prop-2-enylnon-8-en-1-ol
SMILESC=CCC(CC=C)(CCCCCO)N(CCCCCCO)CCCCCCO
InChIInChI=1S/C24H47NO3/c1-3-16-24(17-4-2,18-10-9-15-23-28)25(19-11-5-7-13-21-26)20-12-6-8-14-22-27/h3-4,26-28H,1-2,5-23H2
InChIKeyXFWGKIIXNILTRA-UHFFFAOYSA-N
XLogP4.84
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.64
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 6-[bis(6-hydroxyhexyl)amino]-6-prop-2-enylnon-8-en-1-ol?
The IUPAC name of 6-[bis(6-hydroxyhexyl)amino]-6-prop-2-enylnon-8-en-1-ol (CID 87691384) is 6-[bis(6-hydroxyhexyl)amino]-6-prop-2-enylnon-8-en-1-ol.
What is the SMILES notation for 6-[bis(6-hydroxyhexyl)amino]-6-prop-2-enylnon-8-en-1-ol?
The canonical SMILES for 6-[bis(6-hydroxyhexyl)amino]-6-prop-2-enylnon-8-en-1-ol is C=CCC(CC=C)(CCCCCO)N(CCCCCCO)CCCCCCO.
What is the InChIKey of 6-[bis(6-hydroxyhexyl)amino]-6-prop-2-enylnon-8-en-1-ol?
The InChIKey is XFWGKIIXNILTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO3/c1-3-16-24(17-4-2,18-10-9-15-23-28)25(19-11-5-7-13-21-26)20-12-6-8-14-22-27/h3-4,26-28H,1-2,5-23H2.
What are the key properties of 6-[bis(6-hydroxyhexyl)amino]-6-prop-2-enylnon-8-en-1-ol?
6-[bis(6-hydroxyhexyl)amino]-6-prop-2-enylnon-8-en-1-ol has a molecular weight of 397.64 g/mol, XLogP of 4.84, 22 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(6-hydroxyhexyl)amino]-6-prop-2-enylnon-8-en-1-ol is sourced from PubChem (CID 87691384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).