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

C10H22N2O2 — CID 81130457

IUPAC4-[[2-(dimethylamino)ethylamino]methyl]oxan-4-ol
SMILESCN(C)CCNCC1(O)CCOCC1
InChIInChI=1S/C10H22N2O2/c1-12(2)6-5-11-9-10(13)3-7-14-8-4-10/h11,13H,3-9H2,1-2H3
InChIKeyNLNHMZBDRSTQSU-UHFFFAOYSA-N
MW202.30 g/mol
LogP-0.32
Rot. Bonds5

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

4-[[2-(dimethylamino)ethylamino]methyl]oxan-4-ol (PubChem CID 81130457) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)ethylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[2-(dimethylamino)ethylamino]methyl]oxan-4-ol
PubChem CID81130457
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name4-[[2-(dimethylamino)ethylamino]methyl]oxan-4-ol
SMILESCN(C)CCNCC1(O)CCOCC1
InChIInChI=1S/C10H22N2O2/c1-12(2)6-5-11-9-10(13)3-7-14-8-4-10/h11,13H,3-9H2,1-2H3
InChIKeyNLNHMZBDRSTQSU-UHFFFAOYSA-N
XLogP-0.32
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[2-(dimethylamino)ethylamino]methyl]oxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)ethylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[2-(dimethylamino)ethylamino]methyl]oxan-4-ol (CID 81130457) is 4-[[2-(dimethylamino)ethylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[2-(dimethylamino)ethylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[2-(dimethylamino)ethylamino]methyl]oxan-4-ol is CN(C)CCNCC1(O)CCOCC1.
What is the InChIKey of 4-[[2-(dimethylamino)ethylamino]methyl]oxan-4-ol?
The InChIKey is NLNHMZBDRSTQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-12(2)6-5-11-9-10(13)3-7-14-8-4-10/h11,13H,3-9H2,1-2H3.
What are the key properties of 4-[[2-(dimethylamino)ethylamino]methyl]oxan-4-ol?
4-[[2-(dimethylamino)ethylamino]methyl]oxan-4-ol has a molecular weight of 202.30 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)ethylamino]methyl]oxan-4-ol is sourced from PubChem (CID 81130457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).