amino-(2-ethyl-1,2-dihydropyridin-5-yl)methanol

C8H14N2O — CID 129199789

IUPACamino-(2-ethyl-1,2-dihydropyridin-5-yl)methanol
SMILESCCC1C=CC(C(N)O)=CN1
InChIInChI=1S/C8H14N2O/c1-2-7-4-3-6(5-10-7)8(9)11/h3-5,7-8,10-11H,2,9H2,1H3
InChIKeyHGFZAEQOAXNQDR-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.09
Rot. Bonds2

About amino-(2-ethyl-1,2-dihydropyridin-5-yl)methanol

amino-(2-ethyl-1,2-dihydropyridin-5-yl)methanol (PubChem CID 129199789) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is amino-(2-ethyl-1,2-dihydropyridin-5-yl)methanol.

Molecular Properties

Compound Nameamino-(2-ethyl-1,2-dihydropyridin-5-yl)methanol
PubChem CID129199789
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Nameamino-(2-ethyl-1,2-dihydropyridin-5-yl)methanol
SMILESCCC1C=CC(C(N)O)=CN1
InChIInChI=1S/C8H14N2O/c1-2-7-4-3-6(5-10-7)8(9)11/h3-5,7-8,10-11H,2,9H2,1H3
InChIKeyHGFZAEQOAXNQDR-UHFFFAOYSA-N
XLogP0.09
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-(2-ethyl-1,2-dihydropyridin-5-yl)methanol?
The IUPAC name of amino-(2-ethyl-1,2-dihydropyridin-5-yl)methanol (CID 129199789) is amino-(2-ethyl-1,2-dihydropyridin-5-yl)methanol.
What is the SMILES notation for amino-(2-ethyl-1,2-dihydropyridin-5-yl)methanol?
The canonical SMILES for amino-(2-ethyl-1,2-dihydropyridin-5-yl)methanol is CCC1C=CC(C(N)O)=CN1.
What is the InChIKey of amino-(2-ethyl-1,2-dihydropyridin-5-yl)methanol?
The InChIKey is HGFZAEQOAXNQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-7-4-3-6(5-10-7)8(9)11/h3-5,7-8,10-11H,2,9H2,1H3.
What are the key properties of amino-(2-ethyl-1,2-dihydropyridin-5-yl)methanol?
amino-(2-ethyl-1,2-dihydropyridin-5-yl)methanol has a molecular weight of 154.21 g/mol, XLogP of 0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(2-ethyl-1,2-dihydropyridin-5-yl)methanol is sourced from PubChem (CID 129199789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).