2-(oxiran-2-ylmethylamino)ethanol

C5H11NO2 — CID 11274991

IUPAC2-(oxiran-2-ylmethylamino)ethanol
SMILESOCCNCC1CO1
InChIInChI=1S/C5H11NO2/c7-2-1-6-3-5-4-8-5/h5-7H,1-4H2
InChIKeySNYJTGSIILHBGV-UHFFFAOYSA-N
MW117.15 g/mol
LogP-1.03
Rot. Bonds4

About 2-(oxiran-2-ylmethylamino)ethanol

2-(oxiran-2-ylmethylamino)ethanol (PubChem CID 11274991) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-(oxiran-2-ylmethylamino)ethanol
PubChem CID11274991
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name2-(oxiran-2-ylmethylamino)ethanol
SMILESOCCNCC1CO1
InChIInChI=1S/C5H11NO2/c7-2-1-6-3-5-4-8-5/h5-7H,1-4H2
InChIKeySNYJTGSIILHBGV-UHFFFAOYSA-N
XLogP-1.03
TPSA44.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(oxiran-2-ylmethylamino)propan-1-ol
CID 89390680
N,N'-bis(oxiran-2-ylmethyl)butane-1,4-diamine
CID 88786116
2-(chloromethyl)oxirane;2-(2-hydroxyethylamino)ethanol
CID 6454463
6-(1,4-dioxan-2-ylmethylamino)hexan-1-ol
CID 107703242
N-(oxiran-2-ylmethyl)pentadecan-1-amine;hydrobromide
CID 174322767
oxirane;N-(oxiran-2-ylmethyl)pentan-1-amine
CID 88767306
3-[(2-hydroxyethylamino)methyl]cyclobutan-1-ol
CID 66004874
2-(cycloundecylmethylamino)ethanol
CID 123930521
2-(oxiran-2-ylmethylamino)acetate;hydrochloride
CID 23447257
(3S)-2-[(2-hydroxyethylamino)methyl]oxane-3,4-diol
CID 126606523
N-(oxiran-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 126662658
1-(oxiran-2-yl)-N-silylmethanamine
CID 154313536

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethylamino)ethanol?
The IUPAC name of 2-(oxiran-2-ylmethylamino)ethanol (CID 11274991) is 2-(oxiran-2-ylmethylamino)ethanol.
What is the SMILES notation for 2-(oxiran-2-ylmethylamino)ethanol?
The canonical SMILES for 2-(oxiran-2-ylmethylamino)ethanol is OCCNCC1CO1.
What is the InChIKey of 2-(oxiran-2-ylmethylamino)ethanol?
The InChIKey is SNYJTGSIILHBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c7-2-1-6-3-5-4-8-5/h5-7H,1-4H2.
What are the key properties of 2-(oxiran-2-ylmethylamino)ethanol?
2-(oxiran-2-ylmethylamino)ethanol has a molecular weight of 117.15 g/mol, XLogP of -1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethylamino)ethanol is sourced from PubChem (CID 11274991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).