2-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol

C13H30N2O2 — CID 62517803

IUPAC2-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol
SMILESCCN(CC)CC(O)CNC(CC)(CC)CO
InChIInChI=1S/C13H30N2O2/c1-5-13(6-2,11-16)14-9-12(17)10-15(7-3)8-4/h12,14,16-17H,5-11H2,1-4H3
InChIKeyXQLGKNWBUCDDAW-UHFFFAOYSA-N
MW246.39 g/mol
LogP0.83
Rot. Bonds10

About 2-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol

2-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol (PubChem CID 62517803) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol
PubChem CID62517803
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name2-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol
SMILESCCN(CC)CC(O)CNC(CC)(CC)CO
InChIInChI=1S/C13H30N2O2/c1-5-13(6-2,11-16)14-9-12(17)10-15(7-3)8-4/h12,14,16-17H,5-11H2,1-4H3
InChIKeyXQLGKNWBUCDDAW-UHFFFAOYSA-N
XLogP0.83
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol (CID 62517803) is 2-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol is CCN(CC)CC(O)CNC(CC)(CC)CO.
What is the InChIKey of 2-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol?
The InChIKey is XQLGKNWBUCDDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2/c1-5-13(6-2,11-16)14-9-12(17)10-15(7-3)8-4/h12,14,16-17H,5-11H2,1-4H3.
What are the key properties of 2-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol?
2-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 0.83, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol is sourced from PubChem (CID 62517803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).