4-[2-(methylamino)ethylamino]-1,2-dihydropyridin-2-ol

C8H15N3O — CID 126518661

IUPAC4-[2-(methylamino)ethylamino]-1,2-dihydropyridin-2-ol
SMILESCNCCNC1=CC(O)NC=C1
InChIInChI=1S/C8H15N3O/c1-9-4-5-10-7-2-3-11-8(12)6-7/h2-3,6,8-12H,4-5H2,1H3
InChIKeyPUVSMLRVJQNHMH-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.89
Rot. Bonds4

About 4-[2-(methylamino)ethylamino]-1,2-dihydropyridin-2-ol

4-[2-(methylamino)ethylamino]-1,2-dihydropyridin-2-ol (PubChem CID 126518661) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 4-[2-(methylamino)ethylamino]-1,2-dihydropyridin-2-ol.

Molecular Properties

Compound Name4-[2-(methylamino)ethylamino]-1,2-dihydropyridin-2-ol
PubChem CID126518661
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name4-[2-(methylamino)ethylamino]-1,2-dihydropyridin-2-ol
SMILESCNCCNC1=CC(O)NC=C1
InChIInChI=1S/C8H15N3O/c1-9-4-5-10-7-2-3-11-8(12)6-7/h2-3,6,8-12H,4-5H2,1H3
InChIKeyPUVSMLRVJQNHMH-UHFFFAOYSA-N
XLogP-0.89
TPSA56.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)ethylamino]-1,2-dihydropyridin-2-ol?
The IUPAC name of 4-[2-(methylamino)ethylamino]-1,2-dihydropyridin-2-ol (CID 126518661) is 4-[2-(methylamino)ethylamino]-1,2-dihydropyridin-2-ol.
What is the SMILES notation for 4-[2-(methylamino)ethylamino]-1,2-dihydropyridin-2-ol?
The canonical SMILES for 4-[2-(methylamino)ethylamino]-1,2-dihydropyridin-2-ol is CNCCNC1=CC(O)NC=C1.
What is the InChIKey of 4-[2-(methylamino)ethylamino]-1,2-dihydropyridin-2-ol?
The InChIKey is PUVSMLRVJQNHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-9-4-5-10-7-2-3-11-8(12)6-7/h2-3,6,8-12H,4-5H2,1H3.
What are the key properties of 4-[2-(methylamino)ethylamino]-1,2-dihydropyridin-2-ol?
4-[2-(methylamino)ethylamino]-1,2-dihydropyridin-2-ol has a molecular weight of 169.23 g/mol, XLogP of -0.89, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)ethylamino]-1,2-dihydropyridin-2-ol is sourced from PubChem (CID 126518661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).