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

C11H18N2O2 — CID 106128585

IUPAC5-[(3-methoxy-2-pyridinyl)amino]pentan-2-ol
SMILESCOc1cccnc1NCCCC(C)O
InChIInChI=1S/C11H18N2O2/c1-9(14)5-3-7-12-11-10(15-2)6-4-8-13-11/h4,6,8-9,14H,3,5,7H2,1-2H3,(H,12,13)
InChIKeyXTRKHSPBYMVRKH-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.66
Rot. Bonds6

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

5-[(3-methoxy-2-pyridinyl)amino]pentan-2-ol (PubChem CID 106128585) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-[(3-methoxy-2-pyridinyl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(3-methoxy-2-pyridinyl)amino]pentan-2-ol
PubChem CID106128585
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name5-[(3-methoxy-2-pyridinyl)amino]pentan-2-ol
SMILESCOc1cccnc1NCCCC(C)O
InChIInChI=1S/C11H18N2O2/c1-9(14)5-3-7-12-11-10(15-2)6-4-8-13-11/h4,6,8-9,14H,3,5,7H2,1-2H3,(H,12,13)
InChIKeyXTRKHSPBYMVRKH-UHFFFAOYSA-N
XLogP1.66
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.66
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-propoxy-2-pyridinyl)amino]pentan-2-ol
CID 106129002
N'-(3-methoxy-2-pyridinyl)-2-methylpentane-1,5-diamine
CID 106155329
6-[(3-methoxy-2-pyridinyl)amino]hexan-1-ol
CID 107848736
5-[(3-bromo-2-pyridinyl)amino]pentan-2-ol
CID 106128835
N'-(3-methoxy-2-pyridinyl)hexane-1,6-diamine
CID 107844863
N'-(3-methoxy-2-pyridinyl)ethane-1,2-diamine
CID 83826958
tert-butyl N-[3-[(3-methoxy-2-pyridinyl)amino]propyl]carbamate
CID 114518163
N-(3-cyclopentylpropyl)-3-methoxypyridin-2-amine
CID 114137239
ethyl 2-(4-hydroxypentylamino)pyridine-3-carboxylate
CID 107269211
1-N-(3-propan-2-yloxy-2-pyridinyl)pentane-1,4-diamine
CID 106127389
5-[(3-bromo-4-methyl-2-pyridinyl)amino]pentan-2-ol
CID 106129032
(2S)-4-[(3-amino-2-pyridinyl)amino]butan-2-ol
CID 86323908

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxy-2-pyridinyl)amino]pentan-2-ol?
The IUPAC name of 5-[(3-methoxy-2-pyridinyl)amino]pentan-2-ol (CID 106128585) is 5-[(3-methoxy-2-pyridinyl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(3-methoxy-2-pyridinyl)amino]pentan-2-ol?
The canonical SMILES for 5-[(3-methoxy-2-pyridinyl)amino]pentan-2-ol is COc1cccnc1NCCCC(C)O.
What is the InChIKey of 5-[(3-methoxy-2-pyridinyl)amino]pentan-2-ol?
The InChIKey is XTRKHSPBYMVRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9(14)5-3-7-12-11-10(15-2)6-4-8-13-11/h4,6,8-9,14H,3,5,7H2,1-2H3,(H,12,13).
What are the key properties of 5-[(3-methoxy-2-pyridinyl)amino]pentan-2-ol?
5-[(3-methoxy-2-pyridinyl)amino]pentan-2-ol has a molecular weight of 210.28 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxy-2-pyridinyl)amino]pentan-2-ol is sourced from PubChem (CID 106128585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).