3-(aminomethyl)-4-ethyl-6-methyl-1,2-dihydropyridin-2-ol

C9H16N2O — CID 135259508

IUPAC3-(aminomethyl)-4-ethyl-6-methyl-1,2-dihydropyridin-2-ol
SMILESCCC1=C(CN)C(O)NC(C)=C1
InChIInChI=1S/C9H16N2O/c1-3-7-4-6(2)11-9(12)8(7)5-10/h4,9,11-12H,3,5,10H2,1-2H3
InChIKeyWGZXXHMGORETNM-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.48
Rot. Bonds2

About 3-(aminomethyl)-4-ethyl-6-methyl-1,2-dihydropyridin-2-ol

3-(aminomethyl)-4-ethyl-6-methyl-1,2-dihydropyridin-2-ol (PubChem CID 135259508) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-(aminomethyl)-4-ethyl-6-methyl-1,2-dihydropyridin-2-ol.

Molecular Properties

Compound Name3-(aminomethyl)-4-ethyl-6-methyl-1,2-dihydropyridin-2-ol
PubChem CID135259508
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-(aminomethyl)-4-ethyl-6-methyl-1,2-dihydropyridin-2-ol
SMILESCCC1=C(CN)C(O)NC(C)=C1
InChIInChI=1S/C9H16N2O/c1-3-7-4-6(2)11-9(12)8(7)5-10/h4,9,11-12H,3,5,10H2,1-2H3
InChIKeyWGZXXHMGORETNM-UHFFFAOYSA-N
XLogP0.48
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-ethyl-6-methyl-1,2-dihydropyridin-2-ol?
The IUPAC name of 3-(aminomethyl)-4-ethyl-6-methyl-1,2-dihydropyridin-2-ol (CID 135259508) is 3-(aminomethyl)-4-ethyl-6-methyl-1,2-dihydropyridin-2-ol.
What is the SMILES notation for 3-(aminomethyl)-4-ethyl-6-methyl-1,2-dihydropyridin-2-ol?
The canonical SMILES for 3-(aminomethyl)-4-ethyl-6-methyl-1,2-dihydropyridin-2-ol is CCC1=C(CN)C(O)NC(C)=C1.
What is the InChIKey of 3-(aminomethyl)-4-ethyl-6-methyl-1,2-dihydropyridin-2-ol?
The InChIKey is WGZXXHMGORETNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-7-4-6(2)11-9(12)8(7)5-10/h4,9,11-12H,3,5,10H2,1-2H3.
What are the key properties of 3-(aminomethyl)-4-ethyl-6-methyl-1,2-dihydropyridin-2-ol?
3-(aminomethyl)-4-ethyl-6-methyl-1,2-dihydropyridin-2-ol has a molecular weight of 168.24 g/mol, XLogP of 0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-ethyl-6-methyl-1,2-dihydropyridin-2-ol is sourced from PubChem (CID 135259508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).