2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]propane-1,3-diol

C13H22N2O2 — CID 65310372

IUPAC2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]propane-1,3-diol
SMILESCc1cc(C)c(C(C)NC(CO)CO)c(C)n1
InChIInChI=1S/C13H22N2O2/c1-8-5-9(2)14-10(3)13(8)11(4)15-12(6-16)7-17/h5,11-12,15-17H,6-7H2,1-4H3
InChIKeyGFUZGVPOLPHGSG-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.01
Rot. Bonds5

About 2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]propane-1,3-diol

2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]propane-1,3-diol (PubChem CID 65310372) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]propane-1,3-diol
PubChem CID65310372
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]propane-1,3-diol
SMILESCc1cc(C)c(C(C)NC(CO)CO)c(C)n1
InChIInChI=1S/C13H22N2O2/c1-8-5-9(2)14-10(3)13(8)11(4)15-12(6-16)7-17/h5,11-12,15-17H,6-7H2,1-4H3
InChIKeyGFUZGVPOLPHGSG-UHFFFAOYSA-N
XLogP1.01
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentanenitrile
CID 62645704
1-methoxy-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-2-amine
CID 43758417
3-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethylsulfanyl]propan-1-ol
CID 103917473
(1R)-1-(2,4,6-trimethyl-3-pyridinyl)ethanol
CID 63365086
1-thiophen-3-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-2-amine
CID 61473343
1-(3-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 43767416
1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 43767368
(1S)-1-(4-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 81348689
(1S)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 81375605
2-[1-(2,4,6-trimethylphenyl)ethylamino]butan-1-ol
CID 43207150
1-cyclohexyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 62405192
1-(furan-2-yl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 43776788

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]propane-1,3-diol?
The IUPAC name of 2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]propane-1,3-diol (CID 65310372) is 2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]propane-1,3-diol.
What is the SMILES notation for 2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]propane-1,3-diol?
The canonical SMILES for 2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]propane-1,3-diol is Cc1cc(C)c(C(C)NC(CO)CO)c(C)n1.
What is the InChIKey of 2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]propane-1,3-diol?
The InChIKey is GFUZGVPOLPHGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-8-5-9(2)14-10(3)13(8)11(4)15-12(6-16)7-17/h5,11-12,15-17H,6-7H2,1-4H3.
What are the key properties of 2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]propane-1,3-diol?
2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]propane-1,3-diol has a molecular weight of 238.33 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]propane-1,3-diol is sourced from PubChem (CID 65310372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).