2-[2-(1,2-dihydropyridin-2-yl)ethylamino]ethanol

C9H16N2O — CID 67600219

IUPAC2-[2-(1,2-dihydropyridin-2-yl)ethylamino]ethanol
SMILESOCCNCCC1C=CC=CN1
InChIInChI=1S/C9H16N2O/c12-8-7-10-6-4-9-3-1-2-5-11-9/h1-3,5,9-12H,4,6-8H2
InChIKeyOYXODPHMNVIYNF-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.00
Rot. Bonds5

About 2-[2-(1,2-dihydropyridin-2-yl)ethylamino]ethanol

2-[2-(1,2-dihydropyridin-2-yl)ethylamino]ethanol (PubChem CID 67600219) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[2-(1,2-dihydropyridin-2-yl)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(1,2-dihydropyridin-2-yl)ethylamino]ethanol
PubChem CID67600219
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-[2-(1,2-dihydropyridin-2-yl)ethylamino]ethanol
SMILESOCCNCCC1C=CC=CN1
InChIInChI=1S/C9H16N2O/c12-8-7-10-6-4-9-3-1-2-5-11-9/h1-3,5,9-12H,4,6-8H2
InChIKeyOYXODPHMNVIYNF-UHFFFAOYSA-N
XLogP0.00
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1,2-Dihydropyridin-2-yl)-2-(dimethylamino)ethanol
CID 19041110
2-(Cyclohexa-1,5-dien-1-ylamino)ethanol
CID 21477241
2-[(5-Aminocyclohexa-1,3-dien-1-yl)amino]ethanol
CID 21525076
2-(Cyclohexa-1,3-dien-1-ylamino)ethanol
CID 23168129
2-(2,3,4,8-Tetrahydropyrido[3,4-b]azepin-1-yl)ethanol
CID 70003975
2-(Cyclohexa-2,4-dien-1-ylamino)ethanol
CID 89328272
2-[(4-Aminocyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol
CID 129303960
2-[(2-Aminocyclohexa-2,4-dien-1-yl)amino]ethanol
CID 141134918
2-[2-(aminomethyl)-2H-pyridin-1-yl]ethanol
CID 154140810
ethanol;5-N-ethylcyclohexa-1,3-diene-1,3,5-triamine;uranium(2+)
CID 163554947
2-[(4-Aminocyclohexa-2,4-dien-1-yl)amino]ethanol
CID 163968274
2-[[(4R)-4-aminocyclohexa-1,5-dien-1-yl]amino]ethanol
CID 166668396

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2-dihydropyridin-2-yl)ethylamino]ethanol?
The IUPAC name of 2-[2-(1,2-dihydropyridin-2-yl)ethylamino]ethanol (CID 67600219) is 2-[2-(1,2-dihydropyridin-2-yl)ethylamino]ethanol.
What is the SMILES notation for 2-[2-(1,2-dihydropyridin-2-yl)ethylamino]ethanol?
The canonical SMILES for 2-[2-(1,2-dihydropyridin-2-yl)ethylamino]ethanol is OCCNCCC1C=CC=CN1.
What is the InChIKey of 2-[2-(1,2-dihydropyridin-2-yl)ethylamino]ethanol?
The InChIKey is OYXODPHMNVIYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c12-8-7-10-6-4-9-3-1-2-5-11-9/h1-3,5,9-12H,4,6-8H2.
What are the key properties of 2-[2-(1,2-dihydropyridin-2-yl)ethylamino]ethanol?
2-[2-(1,2-dihydropyridin-2-yl)ethylamino]ethanol has a molecular weight of 168.24 g/mol, XLogP of 0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2-dihydropyridin-2-yl)ethylamino]ethanol is sourced from PubChem (CID 67600219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).