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

C13H30N2O2 — CID 114169381

IUPAC1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCC(O)CN(CC)CC
InChIInChI=1S/C13H30N2O2/c1-5-8-13(4,17)11-14-9-12(16)10-15(6-2)7-3/h12,14,16-17H,5-11H2,1-4H3
InChIKeyMLLIJMPUFWAXRS-UHFFFAOYSA-N
MW246.39 g/mol
LogP0.83
Rot. Bonds10

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

1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-methylpentan-2-ol (PubChem CID 114169381) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-methylpentan-2-ol
PubChem CID114169381
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCC(O)CN(CC)CC
InChIInChI=1S/C13H30N2O2/c1-5-8-13(4,17)11-14-9-12(16)10-15(6-2)7-3/h12,14,16-17H,5-11H2,1-4H3
InChIKeyMLLIJMPUFWAXRS-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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Related Compounds

1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol
CID 66173067
1-(diethylamino)-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60710703
1-(diethylamino)-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63226974
1-(2,2-diethoxyethylamino)-2-methylpentan-2-ol
CID 106292529
1-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpentan-2-ol
CID 106292600
1-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-2-methylpentan-2-ol
CID 106293040
2-amino-3-[(2-hydroxy-2-methylpentyl)amino]propanamide
CID 106294471
1-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpentan-2-ol
CID 106291003
1-[ethyl(2-methylpropyl)amino]-3-(2-methylpropylamino)propan-2-ol
CID 115474899
1-(diethylamino)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62641033
1-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-methylpentan-2-ol
CID 106292709
4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]cyclohexan-1-ol
CID 106132935

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-methylpentan-2-ol (CID 114169381) is 1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-methylpentan-2-ol is CCCC(C)(O)CNCC(O)CN(CC)CC.
What is the InChIKey of 1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-methylpentan-2-ol?
The InChIKey is MLLIJMPUFWAXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2/c1-5-8-13(4,17)11-14-9-12(16)10-15(6-2)7-3/h12,14,16-17H,5-11H2,1-4H3.
What are the key properties of 1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-methylpentan-2-ol?
1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-methylpentan-2-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 1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-methylpentan-2-ol is sourced from PubChem (CID 114169381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).