4-[[2-(diethylamino)ethylamino]methyl]oxan-4-ol

C12H26N2O2 — CID 81131230

IUPAC4-[[2-(diethylamino)ethylamino]methyl]oxan-4-ol
SMILESCCN(CC)CCNCC1(O)CCOCC1
InChIInChI=1S/C12H26N2O2/c1-3-14(4-2)8-7-13-11-12(15)5-9-16-10-6-12/h13,15H,3-11H2,1-2H3
InChIKeyJVOJAJPQVHNXGO-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.46
Rot. Bonds7

About 4-[[2-(diethylamino)ethylamino]methyl]oxan-4-ol

4-[[2-(diethylamino)ethylamino]methyl]oxan-4-ol (PubChem CID 81131230) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-[[2-(diethylamino)ethylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[2-(diethylamino)ethylamino]methyl]oxan-4-ol
PubChem CID81131230
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name4-[[2-(diethylamino)ethylamino]methyl]oxan-4-ol
SMILESCCN(CC)CCNCC1(O)CCOCC1
InChIInChI=1S/C12H26N2O2/c1-3-14(4-2)8-7-13-11-12(15)5-9-16-10-6-12/h13,15H,3-11H2,1-2H3
InChIKeyJVOJAJPQVHNXGO-UHFFFAOYSA-N
XLogP0.46
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.46
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-(diethylamino)ethylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[2-(diethylamino)ethylamino]methyl]oxan-4-ol (CID 81131230) is 4-[[2-(diethylamino)ethylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[2-(diethylamino)ethylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[2-(diethylamino)ethylamino]methyl]oxan-4-ol is CCN(CC)CCNCC1(O)CCOCC1.
What is the InChIKey of 4-[[2-(diethylamino)ethylamino]methyl]oxan-4-ol?
The InChIKey is JVOJAJPQVHNXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-14(4-2)8-7-13-11-12(15)5-9-16-10-6-12/h13,15H,3-11H2,1-2H3.
What are the key properties of 4-[[2-(diethylamino)ethylamino]methyl]oxan-4-ol?
4-[[2-(diethylamino)ethylamino]methyl]oxan-4-ol has a molecular weight of 230.35 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(diethylamino)ethylamino]methyl]oxan-4-ol is sourced from PubChem (CID 81131230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).