2-[(2-amino-4-pyridinyl)methyl-ethylamino]ethanol

C10H17N3O — CID 62469740

IUPAC2-[(2-amino-4-pyridinyl)methyl-ethylamino]ethanol
SMILESCCN(CCO)Cc1ccnc(N)c1
InChIInChI=1S/C10H17N3O/c1-2-13(5-6-14)8-9-3-4-12-10(11)7-9/h3-4,7,14H,2,5-6,8H2,1H3,(H2,11,12)
InChIKeySOSWMZJSRFGDKH-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.48
Rot. Bonds5

About 2-[(2-amino-4-pyridinyl)methyl-ethylamino]ethanol

2-[(2-amino-4-pyridinyl)methyl-ethylamino]ethanol (PubChem CID 62469740) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-[(2-amino-4-pyridinyl)methyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-4-pyridinyl)methyl-ethylamino]ethanol
PubChem CID62469740
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-[(2-amino-4-pyridinyl)methyl-ethylamino]ethanol
SMILESCCN(CCO)Cc1ccnc(N)c1
InChIInChI=1S/C10H17N3O/c1-2-13(5-6-14)8-9-3-4-12-10(11)7-9/h3-4,7,14H,2,5-6,8H2,1H3,(H2,11,12)
InChIKeySOSWMZJSRFGDKH-UHFFFAOYSA-N
XLogP0.48
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-pyridinyl)methyl-ethylamino]ethanol?
The IUPAC name of 2-[(2-amino-4-pyridinyl)methyl-ethylamino]ethanol (CID 62469740) is 2-[(2-amino-4-pyridinyl)methyl-ethylamino]ethanol.
What is the SMILES notation for 2-[(2-amino-4-pyridinyl)methyl-ethylamino]ethanol?
The canonical SMILES for 2-[(2-amino-4-pyridinyl)methyl-ethylamino]ethanol is CCN(CCO)Cc1ccnc(N)c1.
What is the InChIKey of 2-[(2-amino-4-pyridinyl)methyl-ethylamino]ethanol?
The InChIKey is SOSWMZJSRFGDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-13(5-6-14)8-9-3-4-12-10(11)7-9/h3-4,7,14H,2,5-6,8H2,1H3,(H2,11,12).
What are the key properties of 2-[(2-amino-4-pyridinyl)methyl-ethylamino]ethanol?
2-[(2-amino-4-pyridinyl)methyl-ethylamino]ethanol has a molecular weight of 195.27 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-pyridinyl)methyl-ethylamino]ethanol is sourced from PubChem (CID 62469740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).