3-[2-(dimethylamino)ethyl-methylamino]oxan-4-ol

C10H22N2O2 — CID 63699605

IUPAC3-[2-(dimethylamino)ethyl-methylamino]oxan-4-ol
SMILESCN(C)CCN(C)C1COCCC1O
InChIInChI=1S/C10H22N2O2/c1-11(2)5-6-12(3)9-8-14-7-4-10(9)13/h9-10,13H,4-8H2,1-3H3
InChIKeyXLANZLBQRFDTSV-UHFFFAOYSA-N
MW202.30 g/mol
LogP-0.37
Rot. Bonds4

About 3-[2-(dimethylamino)ethyl-methylamino]oxan-4-ol

3-[2-(dimethylamino)ethyl-methylamino]oxan-4-ol (PubChem CID 63699605) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl-methylamino]oxan-4-ol.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl-methylamino]oxan-4-ol
PubChem CID63699605
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name3-[2-(dimethylamino)ethyl-methylamino]oxan-4-ol
SMILESCN(C)CCN(C)C1COCCC1O
InChIInChI=1S/C10H22N2O2/c1-11(2)5-6-12(3)9-8-14-7-4-10(9)13/h9-10,13H,4-8H2,1-3H3
InChIKeyXLANZLBQRFDTSV-UHFFFAOYSA-N
XLogP-0.37
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl-methylamino]oxan-4-ol?
The IUPAC name of 3-[2-(dimethylamino)ethyl-methylamino]oxan-4-ol (CID 63699605) is 3-[2-(dimethylamino)ethyl-methylamino]oxan-4-ol.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl-methylamino]oxan-4-ol?
The canonical SMILES for 3-[2-(dimethylamino)ethyl-methylamino]oxan-4-ol is CN(C)CCN(C)C1COCCC1O.
What is the InChIKey of 3-[2-(dimethylamino)ethyl-methylamino]oxan-4-ol?
The InChIKey is XLANZLBQRFDTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-11(2)5-6-12(3)9-8-14-7-4-10(9)13/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)ethyl-methylamino]oxan-4-ol?
3-[2-(dimethylamino)ethyl-methylamino]oxan-4-ol has a molecular weight of 202.30 g/mol, XLogP of -0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl-methylamino]oxan-4-ol is sourced from PubChem (CID 63699605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).