2-(3-methyliminopropoxy)ethanol

C6H13NO2 — CID 146410336

IUPAC2-(3-methyliminopropoxy)ethanol
SMILESC/N=C/CCOCCO
InChIInChI=1S/C6H13NO2/c1-7-3-2-5-9-6-4-8/h3,8H,2,4-6H2,1H3/b7-3+
InChIKeyPLZNGFOUQAIPPL-XVNBXDOJSA-N
MW131.18 g/mol
LogP0.09
Rot. Bonds5

About 2-(3-methyliminopropoxy)ethanol

2-(3-methyliminopropoxy)ethanol (PubChem CID 146410336) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 2-(3-methyliminopropoxy)ethanol.

Molecular Properties

Compound Name2-(3-methyliminopropoxy)ethanol
PubChem CID146410336
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name2-(3-methyliminopropoxy)ethanol
SMILESC/N=C/CCOCCO
InChIInChI=1S/C6H13NO2/c1-7-3-2-5-9-6-4-8/h3,8H,2,4-6H2,1H3/b7-3+
InChIKeyPLZNGFOUQAIPPL-XVNBXDOJSA-N
XLogP0.09
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(3-methyliminopropoxy)ethanol?
The IUPAC name of 2-(3-methyliminopropoxy)ethanol (CID 146410336) is 2-(3-methyliminopropoxy)ethanol.
What is the SMILES notation for 2-(3-methyliminopropoxy)ethanol?
The canonical SMILES for 2-(3-methyliminopropoxy)ethanol is C/N=C/CCOCCO.
What is the InChIKey of 2-(3-methyliminopropoxy)ethanol?
The InChIKey is PLZNGFOUQAIPPL-XVNBXDOJSA-N. The full InChI is InChI=1S/C6H13NO2/c1-7-3-2-5-9-6-4-8/h3,8H,2,4-6H2,1H3/b7-3+.
What are the key properties of 2-(3-methyliminopropoxy)ethanol?
2-(3-methyliminopropoxy)ethanol has a molecular weight of 131.18 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyliminopropoxy)ethanol is sourced from PubChem (CID 146410336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).