4-[(2-methoxyethylamino)methyl]oxolan-3-amine

C8H18N2O2 — CID 66236121

IUPAC4-[(2-methoxyethylamino)methyl]oxolan-3-amine
SMILESCOCCNCC1COCC1N
InChIInChI=1S/C8H18N2O2/c1-11-3-2-10-4-7-5-12-6-8(7)9/h7-8,10H,2-6,9H2,1H3
InChIKeyMWQCCGMTLVRGFL-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.80
Rot. Bonds5

About 4-[(2-methoxyethylamino)methyl]oxolan-3-amine

4-[(2-methoxyethylamino)methyl]oxolan-3-amine (PubChem CID 66236121) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 4-[(2-methoxyethylamino)methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[(2-methoxyethylamino)methyl]oxolan-3-amine
PubChem CID66236121
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name4-[(2-methoxyethylamino)methyl]oxolan-3-amine
SMILESCOCCNCC1COCC1N
InChIInChI=1S/C8H18N2O2/c1-11-3-2-10-4-7-5-12-6-8(7)9/h7-8,10H,2-6,9H2,1H3
InChIKeyMWQCCGMTLVRGFL-UHFFFAOYSA-N
XLogP-0.80
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyethylamino)methyl]oxolan-3-amine?
The IUPAC name of 4-[(2-methoxyethylamino)methyl]oxolan-3-amine (CID 66236121) is 4-[(2-methoxyethylamino)methyl]oxolan-3-amine.
What is the SMILES notation for 4-[(2-methoxyethylamino)methyl]oxolan-3-amine?
The canonical SMILES for 4-[(2-methoxyethylamino)methyl]oxolan-3-amine is COCCNCC1COCC1N.
What is the InChIKey of 4-[(2-methoxyethylamino)methyl]oxolan-3-amine?
The InChIKey is MWQCCGMTLVRGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-11-3-2-10-4-7-5-12-6-8(7)9/h7-8,10H,2-6,9H2,1H3.
What are the key properties of 4-[(2-methoxyethylamino)methyl]oxolan-3-amine?
4-[(2-methoxyethylamino)methyl]oxolan-3-amine has a molecular weight of 174.24 g/mol, XLogP of -0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyethylamino)methyl]oxolan-3-amine is sourced from PubChem (CID 66236121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).