3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]propane-1,2-diol

C10H16N2O3 — CID 82850120

IUPAC3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]propane-1,2-diol
SMILESCc1ccc(OCC(O)CO)c(CN)n1
InChIInChI=1S/C10H16N2O3/c1-7-2-3-10(9(4-11)12-7)15-6-8(14)5-13/h2-3,8,13-14H,4-6,11H2,1H3
InChIKeyFNQCGELJQKMTPV-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.42
Rot. Bonds5

About 3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]propane-1,2-diol

3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]propane-1,2-diol (PubChem CID 82850120) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]propane-1,2-diol
PubChem CID82850120
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]propane-1,2-diol
SMILESCc1ccc(OCC(O)CO)c(CN)n1
InChIInChI=1S/C10H16N2O3/c1-7-2-3-10(9(4-11)12-7)15-6-8(14)5-13/h2-3,8,13-14H,4-6,11H2,1H3
InChIKeyFNQCGELJQKMTPV-UHFFFAOYSA-N
XLogP-0.42
TPSA88.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988783
1-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol
CID 79158885
(6-methyl-3-propan-2-yloxy-2-pyridinyl)methanamine
CID 79163718
methyl 2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]acetate
CID 79151411
(6-methyl-3-phenylmethoxy-2-pyridinyl)methanamine
CID 58869463
(3-but-2-enoxy-6-methyl-2-pyridinyl)methanamine
CID 79151556
3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 114524856
1-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxy]-3-ethoxypropan-2-ol
CID 79158303
3-[(6-methyl-2-pyridinyl)oxy]propane-1,2-diol
CID 70641589
(3-but-3-enoxy-6-methyl-2-pyridinyl)methanamine
CID 79150479
1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol
CID 79157906
3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-methylpropanamide
CID 79162338

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]propane-1,2-diol?
The IUPAC name of 3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]propane-1,2-diol (CID 82850120) is 3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]propane-1,2-diol.
What is the SMILES notation for 3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]propane-1,2-diol?
The canonical SMILES for 3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]propane-1,2-diol is Cc1ccc(OCC(O)CO)c(CN)n1.
What is the InChIKey of 3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]propane-1,2-diol?
The InChIKey is FNQCGELJQKMTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7-2-3-10(9(4-11)12-7)15-6-8(14)5-13/h2-3,8,13-14H,4-6,11H2,1H3.
What are the key properties of 3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]propane-1,2-diol?
3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]propane-1,2-diol has a molecular weight of 212.25 g/mol, XLogP of -0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]propane-1,2-diol is sourced from PubChem (CID 82850120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).