4-(aminomethyl)-5-(5-hydroxypentoxymethyl)-2-methylpyridin-3-ol

C13H22N2O3 — CID 139741281

IUPAC4-(aminomethyl)-5-(5-hydroxypentoxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(COCCCCCO)c(CN)c1O
InChIInChI=1S/C13H22N2O3/c1-10-13(17)12(7-14)11(8-15-10)9-18-6-4-2-3-5-16/h8,16-17H,2-7,9,14H2,1H3
InChIKeyQYHZSBSORBPLBA-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.23
Rot. Bonds8

About 4-(aminomethyl)-5-(5-hydroxypentoxymethyl)-2-methylpyridin-3-ol

4-(aminomethyl)-5-(5-hydroxypentoxymethyl)-2-methylpyridin-3-ol (PubChem CID 139741281) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-(aminomethyl)-5-(5-hydroxypentoxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name4-(aminomethyl)-5-(5-hydroxypentoxymethyl)-2-methylpyridin-3-ol
PubChem CID139741281
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name4-(aminomethyl)-5-(5-hydroxypentoxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(COCCCCCO)c(CN)c1O
InChIInChI=1S/C13H22N2O3/c1-10-13(17)12(7-14)11(8-15-10)9-18-6-4-2-3-5-16/h8,16-17H,2-7,9,14H2,1H3
InChIKeyQYHZSBSORBPLBA-UHFFFAOYSA-N
XLogP1.23
TPSA88.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-2-methyl-5-(phenylmethoxymethyl)pyridin-3-ol
CID 67719526
[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl methyl hydrogen phosphate
CID 59068359
4-(aminomethyl)-2-methyl-5-(phenoxyphosphanyloxymethyl)pyridin-3-ol
CID 168931369
4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methoxymethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
CID 171380537
[2,3-dimethyl-5-(3-methylbutoxymethyl)-4-pyridinyl]methanamine
CID 118399957
ethyl 3-[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]propanoate
CID 139770420
5-(cyclobutyloxymethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol
CID 155216898
bis[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methoxymethoxy]-oxophosphanium
CID 69100000
actinium;2-[2-[carboxymethyl-[[3-hydroxy-5-(2-methoxyethoxymethyl)-2-methyl-4-pyridinyl]methyl]amino]ethyl-[[3-hydroxy-5-(2-methoxyethoxymethyl)-2-methyl-4-pyridinyl]methyl]amino]acetic acid
CID 21336578
[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl 2,2,2-trifluoroacetate
CID 162159235
butyl (2S)-2-[[[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 176616199
[3-hydroxy-2-methyl-5-(pent-4-ynoxycarbonyloxymethyl)-4-pyridinyl]methyl pent-4-ynyl carbonate
CID 135331323

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-(5-hydroxypentoxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 4-(aminomethyl)-5-(5-hydroxypentoxymethyl)-2-methylpyridin-3-ol (CID 139741281) is 4-(aminomethyl)-5-(5-hydroxypentoxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 4-(aminomethyl)-5-(5-hydroxypentoxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 4-(aminomethyl)-5-(5-hydroxypentoxymethyl)-2-methylpyridin-3-ol is Cc1ncc(COCCCCCO)c(CN)c1O.
What is the InChIKey of 4-(aminomethyl)-5-(5-hydroxypentoxymethyl)-2-methylpyridin-3-ol?
The InChIKey is QYHZSBSORBPLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-10-13(17)12(7-14)11(8-15-10)9-18-6-4-2-3-5-16/h8,16-17H,2-7,9,14H2,1H3.
What are the key properties of 4-(aminomethyl)-5-(5-hydroxypentoxymethyl)-2-methylpyridin-3-ol?
4-(aminomethyl)-5-(5-hydroxypentoxymethyl)-2-methylpyridin-3-ol has a molecular weight of 254.33 g/mol, XLogP of 1.23, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-(5-hydroxypentoxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 139741281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).