2-[(2-amino-3-pyridinyl)methylamino]ethanol

C8H13N3O — CID 82668213

IUPAC2-[(2-amino-3-pyridinyl)methylamino]ethanol
SMILESNc1ncccc1CNCCO
InChIInChI=1S/C8H13N3O/c9-8-7(2-1-3-11-8)6-10-4-5-12/h1-3,10,12H,4-6H2,(H2,9,11)
InChIKeyGACUSILVWXNNOK-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.25
Rot. Bonds4

About 2-[(2-amino-3-pyridinyl)methylamino]ethanol

2-[(2-amino-3-pyridinyl)methylamino]ethanol (PubChem CID 82668213) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-[(2-amino-3-pyridinyl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-3-pyridinyl)methylamino]ethanol
PubChem CID82668213
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-[(2-amino-3-pyridinyl)methylamino]ethanol
SMILESNc1ncccc1CNCCO
InChIInChI=1S/C8H13N3O/c9-8-7(2-1-3-11-8)6-10-4-5-12/h1-3,10,12H,4-6H2,(H2,9,11)
InChIKeyGACUSILVWXNNOK-UHFFFAOYSA-N
XLogP-0.25
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
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 2-[(2-amino-3-pyridinyl)methylamino]ethanol?
The IUPAC name of 2-[(2-amino-3-pyridinyl)methylamino]ethanol (CID 82668213) is 2-[(2-amino-3-pyridinyl)methylamino]ethanol.
What is the SMILES notation for 2-[(2-amino-3-pyridinyl)methylamino]ethanol?
The canonical SMILES for 2-[(2-amino-3-pyridinyl)methylamino]ethanol is Nc1ncccc1CNCCO.
What is the InChIKey of 2-[(2-amino-3-pyridinyl)methylamino]ethanol?
The InChIKey is GACUSILVWXNNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-8-7(2-1-3-11-8)6-10-4-5-12/h1-3,10,12H,4-6H2,(H2,9,11).
What are the key properties of 2-[(2-amino-3-pyridinyl)methylamino]ethanol?
2-[(2-amino-3-pyridinyl)methylamino]ethanol has a molecular weight of 167.21 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-pyridinyl)methylamino]ethanol is sourced from PubChem (CID 82668213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).