3-ethyl-2-(methylamino)-2-tetradecan-3-yltetradecan-1-ol

C31H65NO — CID 57144238

IUPAC3-ethyl-2-(methylamino)-2-tetradecan-3-yltetradecan-1-ol
SMILESCCCCCCCCCCCC(CC)C(CO)(NC)C(CC)CCCCCCCCCCC
InChIInChI=1S/C31H65NO/c1-6-10-12-14-16-18-20-22-24-26-29(8-3)31(28-33,32-5)30(9-4)27-25-23-21-19-17-15-13-11-7-2/h29-30,32-33H,6-28H2,1-5H3
InChIKeyGVHLXTLLYPQAFB-UHFFFAOYSA-N
MW467.87 g/mol
LogP9.83
Rot. Bonds26

About 3-ethyl-2-(methylamino)-2-tetradecan-3-yltetradecan-1-ol

3-ethyl-2-(methylamino)-2-tetradecan-3-yltetradecan-1-ol (PubChem CID 57144238) has the molecular formula C31H65NO and a molecular weight of 467.87 g/mol. Its IUPAC name is 3-ethyl-2-(methylamino)-2-tetradecan-3-yltetradecan-1-ol.

Molecular Properties

Compound Name3-ethyl-2-(methylamino)-2-tetradecan-3-yltetradecan-1-ol
PubChem CID57144238
Molecular FormulaC31H65NO
Molecular Weight467.87 g/mol
Exact Mass467.51
IUPAC Name3-ethyl-2-(methylamino)-2-tetradecan-3-yltetradecan-1-ol
SMILESCCCCCCCCCCCC(CC)C(CO)(NC)C(CC)CCCCCCCCCCC
InChIInChI=1S/C31H65NO/c1-6-10-12-14-16-18-20-22-24-26-29(8-3)31(28-33,32-5)30(9-4)27-25-23-21-19-17-15-13-11-7-2/h29-30,32-33H,6-28H2,1-5H3
InChIKeyGVHLXTLLYPQAFB-UHFFFAOYSA-N
XLogP9.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.87
LogP ≤ 59.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-ethyl-2-(methylamino)-2-tetradecan-3-yltetradecan-1-ol?
The IUPAC name of 3-ethyl-2-(methylamino)-2-tetradecan-3-yltetradecan-1-ol (CID 57144238) is 3-ethyl-2-(methylamino)-2-tetradecan-3-yltetradecan-1-ol.
What is the SMILES notation for 3-ethyl-2-(methylamino)-2-tetradecan-3-yltetradecan-1-ol?
The canonical SMILES for 3-ethyl-2-(methylamino)-2-tetradecan-3-yltetradecan-1-ol is CCCCCCCCCCCC(CC)C(CO)(NC)C(CC)CCCCCCCCCCC.
What is the InChIKey of 3-ethyl-2-(methylamino)-2-tetradecan-3-yltetradecan-1-ol?
The InChIKey is GVHLXTLLYPQAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H65NO/c1-6-10-12-14-16-18-20-22-24-26-29(8-3)31(28-33,32-5)30(9-4)27-25-23-21-19-17-15-13-11-7-2/h29-30,32-33H,6-28H2,1-5H3.
What are the key properties of 3-ethyl-2-(methylamino)-2-tetradecan-3-yltetradecan-1-ol?
3-ethyl-2-(methylamino)-2-tetradecan-3-yltetradecan-1-ol has a molecular weight of 467.87 g/mol, XLogP of 9.83, 26 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(methylamino)-2-tetradecan-3-yltetradecan-1-ol is sourced from PubChem (CID 57144238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).