3-iminoicosan-1-ol

C20H41NO — CID 57124118

IUPAC3-iminoicosan-1-ol
SMILES[H]/N=C(\CCO)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C20H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)18-19-22/h21-22H,2-19H2,1H3/b21-20-
InChIKeyMYHOEVJVTAUHMM-MRCUWXFGSA-N
MW311.55 g/mol
LogP6.65
Rot. Bonds18

About 3-iminoicosan-1-ol

3-iminoicosan-1-ol (PubChem CID 57124118) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is 3-iminoicosan-1-ol.

Molecular Properties

Compound Name3-iminoicosan-1-ol
PubChem CID57124118
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC Name3-iminoicosan-1-ol
SMILES[H]/N=C(\CCO)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C20H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)18-19-22/h21-22H,2-19H2,1H3/b21-20-
InChIKeyMYHOEVJVTAUHMM-MRCUWXFGSA-N
XLogP6.65
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-iminoicosan-1-ol?
The IUPAC name of 3-iminoicosan-1-ol (CID 57124118) is 3-iminoicosan-1-ol.
What is the SMILES notation for 3-iminoicosan-1-ol?
The canonical SMILES for 3-iminoicosan-1-ol is [H]/N=C(\CCO)CCCCCCCCCCCCCCCCC.
What is the InChIKey of 3-iminoicosan-1-ol?
The InChIKey is MYHOEVJVTAUHMM-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)18-19-22/h21-22H,2-19H2,1H3/b21-20-.
What are the key properties of 3-iminoicosan-1-ol?
3-iminoicosan-1-ol has a molecular weight of 311.55 g/mol, XLogP of 6.65, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iminoicosan-1-ol is sourced from PubChem (CID 57124118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).