[2-(3-butoxypropylamino)-3-pyridinyl]methanol

C13H22N2O2 — CID 82341843

IUPAC[2-(3-butoxypropylamino)-3-pyridinyl]methanol
SMILESCCCCOCCCNc1ncccc1CO
InChIInChI=1S/C13H22N2O2/c1-2-3-9-17-10-5-8-15-13-12(11-16)6-4-7-14-13/h4,6-7,16H,2-3,5,8-11H2,1H3,(H,14,15)
InChIKeyGEDBPHMJFPFHFL-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.19
Rot. Bonds9

About [2-(3-butoxypropylamino)-3-pyridinyl]methanol

[2-(3-butoxypropylamino)-3-pyridinyl]methanol (PubChem CID 82341843) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is [2-(3-butoxypropylamino)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(3-butoxypropylamino)-3-pyridinyl]methanol
PubChem CID82341843
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name[2-(3-butoxypropylamino)-3-pyridinyl]methanol
SMILESCCCCOCCCNc1ncccc1CO
InChIInChI=1S/C13H22N2O2/c1-2-3-9-17-10-5-8-15-13-12(11-16)6-4-7-14-13/h4,6-7,16H,2-3,5,8-11H2,1H3,(H,14,15)
InChIKeyGEDBPHMJFPFHFL-UHFFFAOYSA-N
XLogP2.19
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol
CID 82341835
2-(3-butoxypropylamino)pyridine-3-carboxylic acid
CID 82341813
2-[[3-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 82341834
[2-(ethylamino)-3-pyridinyl]methanol
CID 62464975
2-[3-[(3-ethoxy-2-pyridinyl)amino]propoxy]ethanol
CID 106307052
3-[3-(2-methoxyethoxy)propoxymethyl]-N-propylpyridin-2-amine
CID 103405422
N-(3-butoxypropyl)pyridin-2-amine
CID 115569614
2-(2-butoxyethylamino)pyridine-3-carbonitrile
CID 61175093
2-(3-propoxypropylamino)pyridine-3-carbonitrile
CID 82941891
2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxamide
CID 113362577
N-(3-propoxypropyl)-2-(propylamino)pyridine-3-carboxamide
CID 82946727
1-(3-butoxypropyl)-3-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-methylguanidine
CID 75533381

Frequently Asked Questions

What is the IUPAC name of [2-(3-butoxypropylamino)-3-pyridinyl]methanol?
The IUPAC name of [2-(3-butoxypropylamino)-3-pyridinyl]methanol (CID 82341843) is [2-(3-butoxypropylamino)-3-pyridinyl]methanol.
What is the SMILES notation for [2-(3-butoxypropylamino)-3-pyridinyl]methanol?
The canonical SMILES for [2-(3-butoxypropylamino)-3-pyridinyl]methanol is CCCCOCCCNc1ncccc1CO.
What is the InChIKey of [2-(3-butoxypropylamino)-3-pyridinyl]methanol?
The InChIKey is GEDBPHMJFPFHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-3-9-17-10-5-8-15-13-12(11-16)6-4-7-14-13/h4,6-7,16H,2-3,5,8-11H2,1H3,(H,14,15).
What are the key properties of [2-(3-butoxypropylamino)-3-pyridinyl]methanol?
[2-(3-butoxypropylamino)-3-pyridinyl]methanol has a molecular weight of 238.33 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-butoxypropylamino)-3-pyridinyl]methanol is sourced from PubChem (CID 82341843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).