1-(4-amino-3-pyridinyl)-4-methoxybutan-1-ol

C10H16N2O2 — CID 65092313

IUPAC1-(4-amino-3-pyridinyl)-4-methoxybutan-1-ol
SMILESCOCCCC(O)c1cnccc1N
InChIInChI=1S/C10H16N2O2/c1-14-6-2-3-10(13)8-7-12-5-4-9(8)11/h4-5,7,10,13H,2-3,6H2,1H3,(H2,11,12)
InChIKeyATQHZAKKISOSBP-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.12
Rot. Bonds5

About 1-(4-amino-3-pyridinyl)-4-methoxybutan-1-ol

1-(4-amino-3-pyridinyl)-4-methoxybutan-1-ol (PubChem CID 65092313) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(4-amino-3-pyridinyl)-4-methoxybutan-1-ol.

Molecular Properties

Compound Name1-(4-amino-3-pyridinyl)-4-methoxybutan-1-ol
PubChem CID65092313
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-(4-amino-3-pyridinyl)-4-methoxybutan-1-ol
SMILESCOCCCC(O)c1cnccc1N
InChIInChI=1S/C10H16N2O2/c1-14-6-2-3-10(13)8-7-12-5-4-9(8)11/h4-5,7,10,13H,2-3,6H2,1H3,(H2,11,12)
InChIKeyATQHZAKKISOSBP-UHFFFAOYSA-N
XLogP1.12
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.12
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-(4-amino-3-pyridinyl)-4-methylsulfanylbutan-1-ol
CID 103090078
1-(3-fluoro-4-pyridinyl)-3-methoxypropan-1-ol
CID 104737985
1-(4-amino-3-pyridinyl)-2-phenylethanol
CID 54064798
4-ethoxy-1-(4-methyl-3-pyridinyl)butan-1-ol
CID 105110901
[4-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butyl]hydrazine
CID 102710333
3-(5-methoxypentyl)pyridin-4-amine
CID 104649837
1-(4-amino-3-pyridinyl)-4-methoxybutan-1-one
CID 65094552
1-(2-amino-5-methyl-3-pyridinyl)-4-methoxybutan-1-ol
CID 65092617
1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol
CID 113305466
[1-(3-ethyl-4-pyridinyl)-4-methoxybutyl]hydrazine
CID 105262232
3-(1-amino-3-ethoxypropyl)pyridin-4-amine
CID 106815066
3-[3-(3-methoxypropoxy)propyl]pyridin-4-amine
CID 103184229

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-pyridinyl)-4-methoxybutan-1-ol?
The IUPAC name of 1-(4-amino-3-pyridinyl)-4-methoxybutan-1-ol (CID 65092313) is 1-(4-amino-3-pyridinyl)-4-methoxybutan-1-ol.
What is the SMILES notation for 1-(4-amino-3-pyridinyl)-4-methoxybutan-1-ol?
The canonical SMILES for 1-(4-amino-3-pyridinyl)-4-methoxybutan-1-ol is COCCCC(O)c1cnccc1N.
What is the InChIKey of 1-(4-amino-3-pyridinyl)-4-methoxybutan-1-ol?
The InChIKey is ATQHZAKKISOSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-14-6-2-3-10(13)8-7-12-5-4-9(8)11/h4-5,7,10,13H,2-3,6H2,1H3,(H2,11,12).
What are the key properties of 1-(4-amino-3-pyridinyl)-4-methoxybutan-1-ol?
1-(4-amino-3-pyridinyl)-4-methoxybutan-1-ol has a molecular weight of 196.25 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-pyridinyl)-4-methoxybutan-1-ol is sourced from PubChem (CID 65092313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).