5-[(3-propoxy-2-pyridinyl)amino]pentan-2-ol

C13H22N2O2 — CID 106129002

IUPAC5-[(3-propoxy-2-pyridinyl)amino]pentan-2-ol
SMILESCCCOc1cccnc1NCCCC(C)O
InChIInChI=1S/C13H22N2O2/c1-3-10-17-12-7-5-9-15-13(12)14-8-4-6-11(2)16/h5,7,9,11,16H,3-4,6,8,10H2,1-2H3,(H,14,15)
InChIKeyAVTHUYALWJPMHK-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.44
Rot. Bonds8

About 5-[(3-propoxy-2-pyridinyl)amino]pentan-2-ol

5-[(3-propoxy-2-pyridinyl)amino]pentan-2-ol (PubChem CID 106129002) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-[(3-propoxy-2-pyridinyl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(3-propoxy-2-pyridinyl)amino]pentan-2-ol
PubChem CID106129002
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name5-[(3-propoxy-2-pyridinyl)amino]pentan-2-ol
SMILESCCCOc1cccnc1NCCCC(C)O
InChIInChI=1S/C13H22N2O2/c1-3-10-17-12-7-5-9-15-13(12)14-8-4-6-11(2)16/h5,7,9,11,16H,3-4,6,8,10H2,1-2H3,(H,14,15)
InChIKeyAVTHUYALWJPMHK-UHFFFAOYSA-N
XLogP2.44
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.44
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

5-[(3-methoxy-2-pyridinyl)amino]pentan-2-ol
CID 106128585
N-pent-4-ynyl-3-propoxypyridin-2-amine
CID 106222583
5-[(3-bromo-2-pyridinyl)amino]pentan-2-ol
CID 106128835
N-pent-3-ynyl-3-propoxypyridin-2-amine
CID 116644405
ethyl 2-(4-hydroxypentylamino)pyridine-3-carboxylate
CID 107269211
2-[3-[(3-ethoxy-2-pyridinyl)amino]propoxy]ethanol
CID 106307052
4-[[(3-propoxy-2-pyridinyl)amino]methyl]phenol
CID 114332578
(2S)-4-[(3-amino-2-pyridinyl)amino]butan-2-ol
CID 86323908
2,3-dimethyl-3-[(3-propoxy-2-pyridinyl)amino]butan-2-ol
CID 106185999
N-(3-ethylpentan-2-yl)-3-propoxypyridin-2-amine
CID 113370934
N-[(4-ethylphenyl)methyl]-3-propoxypyridin-2-amine
CID 106900046
N-(6-chlorohexyl)-3-ethoxypyridin-2-amine
CID 107846423

Frequently Asked Questions

What is the IUPAC name of 5-[(3-propoxy-2-pyridinyl)amino]pentan-2-ol?
The IUPAC name of 5-[(3-propoxy-2-pyridinyl)amino]pentan-2-ol (CID 106129002) is 5-[(3-propoxy-2-pyridinyl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(3-propoxy-2-pyridinyl)amino]pentan-2-ol?
The canonical SMILES for 5-[(3-propoxy-2-pyridinyl)amino]pentan-2-ol is CCCOc1cccnc1NCCCC(C)O.
What is the InChIKey of 5-[(3-propoxy-2-pyridinyl)amino]pentan-2-ol?
The InChIKey is AVTHUYALWJPMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-10-17-12-7-5-9-15-13(12)14-8-4-6-11(2)16/h5,7,9,11,16H,3-4,6,8,10H2,1-2H3,(H,14,15).
What are the key properties of 5-[(3-propoxy-2-pyridinyl)amino]pentan-2-ol?
5-[(3-propoxy-2-pyridinyl)amino]pentan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-propoxy-2-pyridinyl)amino]pentan-2-ol is sourced from PubChem (CID 106129002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).