4-[[6-(aminomethyl)-3-pyridinyl]oxy]butan-1-ol

C10H16N2O2 — CID 79776110

IUPAC4-[[6-(aminomethyl)-3-pyridinyl]oxy]butan-1-ol
SMILESNCc1ccc(OCCCCO)cn1
InChIInChI=1S/C10H16N2O2/c11-7-9-3-4-10(8-12-9)14-6-2-1-5-13/h3-4,8,13H,1-2,5-7,11H2
InChIKeyQXWXOJZAHBWKLQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.69
Rot. Bonds6

About 4-[[6-(aminomethyl)-3-pyridinyl]oxy]butan-1-ol

4-[[6-(aminomethyl)-3-pyridinyl]oxy]butan-1-ol (PubChem CID 79776110) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-[[6-(aminomethyl)-3-pyridinyl]oxy]butan-1-ol.

Molecular Properties

Compound Name4-[[6-(aminomethyl)-3-pyridinyl]oxy]butan-1-ol
PubChem CID79776110
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-[[6-(aminomethyl)-3-pyridinyl]oxy]butan-1-ol
SMILESNCc1ccc(OCCCCO)cn1
InChIInChI=1S/C10H16N2O2/c11-7-9-3-4-10(8-12-9)14-6-2-1-5-13/h3-4,8,13H,1-2,5-7,11H2
InChIKeyQXWXOJZAHBWKLQ-UHFFFAOYSA-N
XLogP0.69
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.69
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-butoxy-2-pyridinyl)methanamine
CID 79787452
4-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]butan-1-ol
CID 79776524
(5-hept-6-enoxy-2-pyridinyl)methanamine
CID 107006235
6-[(6-chloro-3-pyridinyl)oxy]hexan-1-ol
CID 103867951
ethyl 6-[[6-(aminomethyl)-3-pyridinyl]oxy]hexanoate
CID 79776365
8-[4-(aminomethyl)phenoxy]octan-1-ol
CID 71278332
6-[[6-[(2-methoxyethylamino)methyl]-3-pyridinyl]oxy]hexan-1-ol
CID 107702731
[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanamine
CID 113320443
[5-(2-propoxyethoxy)-2-pyridinyl]methanamine
CID 115487193
2-(5-butoxy-2-pyridinyl)ethanamine
CID 79799974
5-[[6-(hydroxymethyl)-3-pyridinyl]oxy]pentanenitrile
CID 79794446
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(aminomethyl)-3-pyridinyl]oxy]butan-1-ol?
The IUPAC name of 4-[[6-(aminomethyl)-3-pyridinyl]oxy]butan-1-ol (CID 79776110) is 4-[[6-(aminomethyl)-3-pyridinyl]oxy]butan-1-ol.
What is the SMILES notation for 4-[[6-(aminomethyl)-3-pyridinyl]oxy]butan-1-ol?
The canonical SMILES for 4-[[6-(aminomethyl)-3-pyridinyl]oxy]butan-1-ol is NCc1ccc(OCCCCO)cn1.
What is the InChIKey of 4-[[6-(aminomethyl)-3-pyridinyl]oxy]butan-1-ol?
The InChIKey is QXWXOJZAHBWKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c11-7-9-3-4-10(8-12-9)14-6-2-1-5-13/h3-4,8,13H,1-2,5-7,11H2.
What are the key properties of 4-[[6-(aminomethyl)-3-pyridinyl]oxy]butan-1-ol?
4-[[6-(aminomethyl)-3-pyridinyl]oxy]butan-1-ol has a molecular weight of 196.25 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(aminomethyl)-3-pyridinyl]oxy]butan-1-ol is sourced from PubChem (CID 79776110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).