1-(2-amino-5-methyl-3-pyridinyl)-4-methoxybutan-1-ol

C11H18N2O2 — CID 65092617

IUPAC1-(2-amino-5-methyl-3-pyridinyl)-4-methoxybutan-1-ol
SMILESCOCCCC(O)c1cc(C)cnc1N
InChIInChI=1S/C11H18N2O2/c1-8-6-9(11(12)13-7-8)10(14)4-3-5-15-2/h6-7,10,14H,3-5H2,1-2H3,(H2,12,13)
InChIKeyZYHLAIGSSCLMQA-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.43
Rot. Bonds5

About 1-(2-amino-5-methyl-3-pyridinyl)-4-methoxybutan-1-ol

1-(2-amino-5-methyl-3-pyridinyl)-4-methoxybutan-1-ol (PubChem CID 65092617) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(2-amino-5-methyl-3-pyridinyl)-4-methoxybutan-1-ol.

Molecular Properties

Compound Name1-(2-amino-5-methyl-3-pyridinyl)-4-methoxybutan-1-ol
PubChem CID65092617
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(2-amino-5-methyl-3-pyridinyl)-4-methoxybutan-1-ol
SMILESCOCCCC(O)c1cc(C)cnc1N
InChIInChI=1S/C11H18N2O2/c1-8-6-9(11(12)13-7-8)10(14)4-3-5-15-2/h6-7,10,14H,3-5H2,1-2H3,(H2,12,13)
InChIKeyZYHLAIGSSCLMQA-UHFFFAOYSA-N
XLogP1.43
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.43
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

1-(2-amino-5-methyl-3-pyridinyl)-4-chlorobutan-1-ol
CID 66046118
1-(2-amino-5-methyl-3-pyridinyl)-3-(dimethylamino)propan-1-ol
CID 115345867
1-(2-amino-5-methyl-3-pyridinyl)propane-1,2-diol
CID 103452733
1-(4-amino-3-pyridinyl)-4-methoxybutan-1-ol
CID 65092313
5-methyl-3-pentan-2-ylpyridin-2-amine
CID 107887874
3-(1-hydrazinylbutyl)-5-methylpyridin-2-amine
CID 105202307
3-(1-hydrazinyl-2-propoxyethyl)-5-methylpyridin-2-amine
CID 105210168
3-[1-(ethylamino)-2,2-dimethoxyethyl]-5-methylpyridin-2-amine
CID 79493469
3-(1-amino-2-methoxy-2-methylpropyl)-5-methylpyridin-2-amine
CID 79198235
3-(2-ethoxy-1-hydrazinylpropyl)-5-methylpyridin-2-amine
CID 105223027
1-(5-fluoro-2-methylphenyl)-4-methoxybutan-1-ol
CID 62606584
1-(4-bromo-2-methylphenyl)-4-methoxybutan-1-ol
CID 115839496

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methyl-3-pyridinyl)-4-methoxybutan-1-ol?
The IUPAC name of 1-(2-amino-5-methyl-3-pyridinyl)-4-methoxybutan-1-ol (CID 65092617) is 1-(2-amino-5-methyl-3-pyridinyl)-4-methoxybutan-1-ol.
What is the SMILES notation for 1-(2-amino-5-methyl-3-pyridinyl)-4-methoxybutan-1-ol?
The canonical SMILES for 1-(2-amino-5-methyl-3-pyridinyl)-4-methoxybutan-1-ol is COCCCC(O)c1cc(C)cnc1N.
What is the InChIKey of 1-(2-amino-5-methyl-3-pyridinyl)-4-methoxybutan-1-ol?
The InChIKey is ZYHLAIGSSCLMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8-6-9(11(12)13-7-8)10(14)4-3-5-15-2/h6-7,10,14H,3-5H2,1-2H3,(H2,12,13).
What are the key properties of 1-(2-amino-5-methyl-3-pyridinyl)-4-methoxybutan-1-ol?
1-(2-amino-5-methyl-3-pyridinyl)-4-methoxybutan-1-ol has a molecular weight of 210.28 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methyl-3-pyridinyl)-4-methoxybutan-1-ol is sourced from PubChem (CID 65092617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).