3-[[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol

C9H14N2O2 — CID 82341835

IUPAC3-[[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol
SMILESOCCCNc1ncccc1CO
InChIInChI=1S/C9H14N2O2/c12-6-2-5-11-9-8(7-13)3-1-4-10-9/h1,3-4,12-13H,2,5-7H2,(H,10,11)
InChIKeyOJTFCAVNWATDHO-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.37
Rot. Bonds5

About 3-[[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol

3-[[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol (PubChem CID 82341835) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-[[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol
PubChem CID82341835
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-[[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol
SMILESOCCCNc1ncccc1CO
InChIInChI=1S/C9H14N2O2/c12-6-2-5-11-9-8(7-13)3-1-4-10-9/h1,3-4,12-13H,2,5-7H2,(H,10,11)
InChIKeyOJTFCAVNWATDHO-UHFFFAOYSA-N
XLogP0.37
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 82341834
[2-(3-butoxypropylamino)-3-pyridinyl]methanol
CID 82341843
[2-(ethylamino)-3-pyridinyl]methanol
CID 62464975
3-[(3-nitro-2-pyridinyl)amino]propan-1-ol;hydrochloride
CID 71299310
[2-[(4-methylphenyl)methylamino]-3-pyridinyl]methanol
CID 82081342
5-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 107302474
6-[[3-(trifluoromethyl)-2-pyridinyl]amino]hexan-1-ol
CID 103918216
6-[(3-methoxy-2-pyridinyl)amino]hexan-1-ol
CID 107848736
3-[(2-methyl-3-pyridinyl)amino]propan-1-ol
CID 19782834
2-[(3-bromo-2-pyridinyl)amino]ethanol
CID 61374645
[2-(3,5-dimethylanilino)-3-pyridinyl]methanol
CID 82081347
3-[cyclobutyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]propan-1-ol
CID 102870493

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol?
The IUPAC name of 3-[[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol (CID 82341835) is 3-[[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol?
The canonical SMILES for 3-[[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol is OCCCNc1ncccc1CO.
What is the InChIKey of 3-[[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol?
The InChIKey is OJTFCAVNWATDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-6-2-5-11-9-8(7-13)3-1-4-10-9/h1,3-4,12-13H,2,5-7H2,(H,10,11).
What are the key properties of 3-[[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol?
3-[[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol has a molecular weight of 182.22 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 82341835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).