4-(aminomethyl)-1-ethyl-5-(hydroxymethyl)-2-methyl-2H-pyridin-3-ol

C10H18N2O2 — CID 18784872

IUPAC4-(aminomethyl)-1-ethyl-5-(hydroxymethyl)-2-methyl-2H-pyridin-3-ol
SMILESCCN1C=C(CO)C(CN)=C(O)C1C
InChIInChI=1S/C10H18N2O2/c1-3-12-5-8(6-13)9(4-11)10(14)7(12)2/h5,7,13-14H,3-4,6,11H2,1-2H3
InChIKeyXYSQTFNVUKTLTA-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.36
Rot. Bonds3

About 4-(aminomethyl)-1-ethyl-5-(hydroxymethyl)-2-methyl-2H-pyridin-3-ol

4-(aminomethyl)-1-ethyl-5-(hydroxymethyl)-2-methyl-2H-pyridin-3-ol (PubChem CID 18784872) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-(aminomethyl)-1-ethyl-5-(hydroxymethyl)-2-methyl-2H-pyridin-3-ol.

Molecular Properties

Compound Name4-(aminomethyl)-1-ethyl-5-(hydroxymethyl)-2-methyl-2H-pyridin-3-ol
PubChem CID18784872
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4-(aminomethyl)-1-ethyl-5-(hydroxymethyl)-2-methyl-2H-pyridin-3-ol
SMILESCCN1C=C(CO)C(CN)=C(O)C1C
InChIInChI=1S/C10H18N2O2/c1-3-12-5-8(6-13)9(4-11)10(14)7(12)2/h5,7,13-14H,3-4,6,11H2,1-2H3
InChIKeyXYSQTFNVUKTLTA-UHFFFAOYSA-N
XLogP0.36
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-ethyl-5-(hydroxymethyl)-2-methyl-2H-pyridin-3-ol?
The IUPAC name of 4-(aminomethyl)-1-ethyl-5-(hydroxymethyl)-2-methyl-2H-pyridin-3-ol (CID 18784872) is 4-(aminomethyl)-1-ethyl-5-(hydroxymethyl)-2-methyl-2H-pyridin-3-ol.
What is the SMILES notation for 4-(aminomethyl)-1-ethyl-5-(hydroxymethyl)-2-methyl-2H-pyridin-3-ol?
The canonical SMILES for 4-(aminomethyl)-1-ethyl-5-(hydroxymethyl)-2-methyl-2H-pyridin-3-ol is CCN1C=C(CO)C(CN)=C(O)C1C.
What is the InChIKey of 4-(aminomethyl)-1-ethyl-5-(hydroxymethyl)-2-methyl-2H-pyridin-3-ol?
The InChIKey is XYSQTFNVUKTLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-12-5-8(6-13)9(4-11)10(14)7(12)2/h5,7,13-14H,3-4,6,11H2,1-2H3.
What are the key properties of 4-(aminomethyl)-1-ethyl-5-(hydroxymethyl)-2-methyl-2H-pyridin-3-ol?
4-(aminomethyl)-1-ethyl-5-(hydroxymethyl)-2-methyl-2H-pyridin-3-ol has a molecular weight of 198.27 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-ethyl-5-(hydroxymethyl)-2-methyl-2H-pyridin-3-ol is sourced from PubChem (CID 18784872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).