10-[[bis(2-hydroxyethyl)amino]methyl]octadecan-9-ol

C23H49NO3 — CID 88710676

IUPAC10-[[bis(2-hydroxyethyl)amino]methyl]octadecan-9-ol
SMILESCCCCCCCCC(O)C(CCCCCCCC)CN(CCO)CCO
InChIInChI=1S/C23H49NO3/c1-3-5-7-9-11-13-15-22(21-24(17-19-25)18-20-26)23(27)16-14-12-10-8-6-4-2/h22-23,25-27H,3-21H2,1-2H3
InChIKeyBLUJZMRNHVNFKL-UHFFFAOYSA-N
MW387.65 g/mol
LogP4.75
Rot. Bonds21

About 10-[[bis(2-hydroxyethyl)amino]methyl]octadecan-9-ol

10-[[bis(2-hydroxyethyl)amino]methyl]octadecan-9-ol (PubChem CID 88710676) has the molecular formula C23H49NO3 and a molecular weight of 387.65 g/mol. Its IUPAC name is 10-[[bis(2-hydroxyethyl)amino]methyl]octadecan-9-ol.

Molecular Properties

Compound Name10-[[bis(2-hydroxyethyl)amino]methyl]octadecan-9-ol
PubChem CID88710676
Molecular FormulaC23H49NO3
Molecular Weight387.65 g/mol
Exact Mass387.37
IUPAC Name10-[[bis(2-hydroxyethyl)amino]methyl]octadecan-9-ol
SMILESCCCCCCCCC(O)C(CCCCCCCC)CN(CCO)CCO
InChIInChI=1S/C23H49NO3/c1-3-5-7-9-11-13-15-22(21-24(17-19-25)18-20-26)23(27)16-14-12-10-8-6-4-2/h22-23,25-27H,3-21H2,1-2H3
InChIKeyBLUJZMRNHVNFKL-UHFFFAOYSA-N
XLogP4.75
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.65
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-[[bis(2-hydroxyethyl)amino]methyl]octadecan-9-ol?
The IUPAC name of 10-[[bis(2-hydroxyethyl)amino]methyl]octadecan-9-ol (CID 88710676) is 10-[[bis(2-hydroxyethyl)amino]methyl]octadecan-9-ol.
What is the SMILES notation for 10-[[bis(2-hydroxyethyl)amino]methyl]octadecan-9-ol?
The canonical SMILES for 10-[[bis(2-hydroxyethyl)amino]methyl]octadecan-9-ol is CCCCCCCCC(O)C(CCCCCCCC)CN(CCO)CCO.
What is the InChIKey of 10-[[bis(2-hydroxyethyl)amino]methyl]octadecan-9-ol?
The InChIKey is BLUJZMRNHVNFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49NO3/c1-3-5-7-9-11-13-15-22(21-24(17-19-25)18-20-26)23(27)16-14-12-10-8-6-4-2/h22-23,25-27H,3-21H2,1-2H3.
What are the key properties of 10-[[bis(2-hydroxyethyl)amino]methyl]octadecan-9-ol?
10-[[bis(2-hydroxyethyl)amino]methyl]octadecan-9-ol has a molecular weight of 387.65 g/mol, XLogP of 4.75, 21 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[[bis(2-hydroxyethyl)amino]methyl]octadecan-9-ol is sourced from PubChem (CID 88710676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).