4-(methylaminomethyl)oxan-4-ol

C7H15NO2 — CID 62775075

IUPAC4-(methylaminomethyl)oxan-4-ol
SMILESCNCC1(O)CCOCC1
InChIInChI=1S/C7H15NO2/c1-8-6-7(9)2-4-10-5-3-7/h8-9H,2-6H2,1H3
InChIKeyLJGNILVBYKINHG-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.25
Rot. Bonds2

About 4-(methylaminomethyl)oxan-4-ol

4-(methylaminomethyl)oxan-4-ol (PubChem CID 62775075) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 4-(methylaminomethyl)oxan-4-ol.

Molecular Properties

Compound Name4-(methylaminomethyl)oxan-4-ol
PubChem CID62775075
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name4-(methylaminomethyl)oxan-4-ol
SMILESCNCC1(O)CCOCC1
InChIInChI=1S/C7H15NO2/c1-8-6-7(9)2-4-10-5-3-7/h8-9H,2-6H2,1H3
InChIKeyLJGNILVBYKINHG-UHFFFAOYSA-N
XLogP-0.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)oxan-4-ol?
The IUPAC name of 4-(methylaminomethyl)oxan-4-ol (CID 62775075) is 4-(methylaminomethyl)oxan-4-ol.
What is the SMILES notation for 4-(methylaminomethyl)oxan-4-ol?
The canonical SMILES for 4-(methylaminomethyl)oxan-4-ol is CNCC1(O)CCOCC1.
What is the InChIKey of 4-(methylaminomethyl)oxan-4-ol?
The InChIKey is LJGNILVBYKINHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-8-6-7(9)2-4-10-5-3-7/h8-9H,2-6H2,1H3.
What are the key properties of 4-(methylaminomethyl)oxan-4-ol?
4-(methylaminomethyl)oxan-4-ol has a molecular weight of 145.20 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)oxan-4-ol is sourced from PubChem (CID 62775075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).