[(2S)-oxolan-2-yl]methoxymethanamine

C6H13NO2 — CID 126553312

IUPAC[(2S)-oxolan-2-yl]methoxymethanamine
SMILESNCOC[C@@H]1CCCO1
InChIInChI=1S/C6H13NO2/c7-5-8-4-6-2-1-3-9-6/h6H,1-5,7H2/t6-/m0/s1
InChIKeyMGSVSWRLOKBXNG-LURJTMIESA-N
MW131.18 g/mol
LogP0.10
Rot. Bonds3

About [(2S)-oxolan-2-yl]methoxymethanamine

[(2S)-oxolan-2-yl]methoxymethanamine (PubChem CID 126553312) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]methoxymethanamine.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]methoxymethanamine
PubChem CID126553312
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name[(2S)-oxolan-2-yl]methoxymethanamine
SMILESNCOC[C@@H]1CCCO1
InChIInChI=1S/C6H13NO2/c7-5-8-4-6-2-1-3-9-6/h6H,1-5,7H2/t6-/m0/s1
InChIKeyMGSVSWRLOKBXNG-LURJTMIESA-N
XLogP0.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium
CID 7219875
[(2R)-oxolan-2-yl]methanamine
CID 2734124
oxolan-2-ylmethyl hypochlorite
CID 22491519
(2R)-2-(sulfanyloxymethyl)oxolane
CID 139553525
2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane
CID 58879072
3-(oxolan-2-ylmethoxymethyl)pentan-3-amine
CID 64571645
1-(oxolan-2-ylmethoxymethyl)cyclohexan-1-amine
CID 64572264
2-[2-(2-methoxyethoxy)ethoxymethyl]oxolane
CID 157159519
(2R)-2-[[(2R)-oxolan-2-yl]methoxymethyl]azetidine
CID 86324289
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
bis[[(2R)-oxolan-2-yl]methyl] [(2S)-oxolan-2-yl]methyl borate
CID 124629023
ethyl 2-[[(2R)-oxolan-2-yl]methoxy]acetate
CID 28940137

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]methoxymethanamine?
The IUPAC name of [(2S)-oxolan-2-yl]methoxymethanamine (CID 126553312) is [(2S)-oxolan-2-yl]methoxymethanamine.
What is the SMILES notation for [(2S)-oxolan-2-yl]methoxymethanamine?
The canonical SMILES for [(2S)-oxolan-2-yl]methoxymethanamine is NCOC[C@@H]1CCCO1.
What is the InChIKey of [(2S)-oxolan-2-yl]methoxymethanamine?
The InChIKey is MGSVSWRLOKBXNG-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NO2/c7-5-8-4-6-2-1-3-9-6/h6H,1-5,7H2/t6-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]methoxymethanamine?
[(2S)-oxolan-2-yl]methoxymethanamine has a molecular weight of 131.18 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]methoxymethanamine is sourced from PubChem (CID 126553312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).