2-ethyl-3-imino-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol

C11H23NO2 — CID 174568449

IUPAC2-ethyl-3-imino-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol
SMILES[H]/N=C(\CCOC(C)(C)C)C(CC)CO
InChIInChI=1S/C11H23NO2/c1-5-9(8-13)10(12)6-7-14-11(2,3)4/h9,12-13H,5-8H2,1-4H3/b12-10+
InChIKeyFJJFTAICOXEOKQ-ZRDIBKRKSA-N
MW201.31 g/mol
LogP2.23
Rot. Bonds6

About 2-ethyl-3-imino-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol

2-ethyl-3-imino-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol (PubChem CID 174568449) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-ethyl-3-imino-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-3-imino-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol
PubChem CID174568449
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-ethyl-3-imino-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol
SMILES[H]/N=C(\CCOC(C)(C)C)C(CC)CO
InChIInChI=1S/C11H23NO2/c1-5-9(8-13)10(12)6-7-14-11(2,3)4/h9,12-13H,5-8H2,1-4H3/b12-10+
InChIKeyFJJFTAICOXEOKQ-ZRDIBKRKSA-N
XLogP2.23
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-imino-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol?
The IUPAC name of 2-ethyl-3-imino-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol (CID 174568449) is 2-ethyl-3-imino-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol.
What is the SMILES notation for 2-ethyl-3-imino-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol?
The canonical SMILES for 2-ethyl-3-imino-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol is [H]/N=C(\CCOC(C)(C)C)C(CC)CO.
What is the InChIKey of 2-ethyl-3-imino-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol?
The InChIKey is FJJFTAICOXEOKQ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-9(8-13)10(12)6-7-14-11(2,3)4/h9,12-13H,5-8H2,1-4H3/b12-10+.
What are the key properties of 2-ethyl-3-imino-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol?
2-ethyl-3-imino-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-imino-5-[(2-methylpropan-2-yl)oxy]pentan-1-ol is sourced from PubChem (CID 174568449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).