3-(aminomethyl)-4-pyridin-3-yloxybutan-1-ol

C10H16N2O2 — CID 117236929

IUPAC3-(aminomethyl)-4-pyridin-3-yloxybutan-1-ol
SMILESNCC(CCO)COc1cccnc1
InChIInChI=1S/C10H16N2O2/c11-6-9(3-5-13)8-14-10-2-1-4-12-7-10/h1-2,4,7,9,13H,3,5-6,8,11H2
InChIKeyWZKHHQUINAGZLR-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.42
Rot. Bonds6

About 3-(aminomethyl)-4-pyridin-3-yloxybutan-1-ol

3-(aminomethyl)-4-pyridin-3-yloxybutan-1-ol (PubChem CID 117236929) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(aminomethyl)-4-pyridin-3-yloxybutan-1-ol.

Molecular Properties

Compound Name3-(aminomethyl)-4-pyridin-3-yloxybutan-1-ol
PubChem CID117236929
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-(aminomethyl)-4-pyridin-3-yloxybutan-1-ol
SMILESNCC(CCO)COc1cccnc1
InChIInChI=1S/C10H16N2O2/c11-6-9(3-5-13)8-14-10-2-1-4-12-7-10/h1-2,4,7,9,13H,3,5-6,8,11H2
InChIKeyWZKHHQUINAGZLR-UHFFFAOYSA-N
XLogP0.42
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 ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(pyridin-3-yloxymethyl)pentan-1-amine
CID 117241997
1-pyridin-3-yloxypentan-2-amine
CID 117241763
3,3-dimethyl-1-pyridin-3-yloxybutan-2-amine
CID 117242309
4-methoxy-1-pyridin-3-yloxybutan-2-amine
CID 117236788
1-(2-bromophenyl)-2-pyridin-3-yloxyethanamine
CID 117243775
2-(2-methoxyphenyl)-3-pyridin-3-yloxypropan-1-amine
CID 117244112
2-(4-chlorophenyl)-3-pyridin-3-yloxypropan-1-ol
CID 117245002
2-cyclohexyl-3-pyridin-3-yloxypropan-1-ol
CID 117246006
1-(2-fluorophenyl)-2-pyridin-3-yloxyethanol
CID 117243776
6-pyridin-3-yloxyhexan-1-amine;hydrochloride
CID 131726699
2-(2-pyridin-3-yloxyethoxy)ethanamine
CID 103482595
2-(3-methylphenyl)-3-pyridin-3-yloxypropan-1-ol
CID 117243147

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-pyridin-3-yloxybutan-1-ol?
The IUPAC name of 3-(aminomethyl)-4-pyridin-3-yloxybutan-1-ol (CID 117236929) is 3-(aminomethyl)-4-pyridin-3-yloxybutan-1-ol.
What is the SMILES notation for 3-(aminomethyl)-4-pyridin-3-yloxybutan-1-ol?
The canonical SMILES for 3-(aminomethyl)-4-pyridin-3-yloxybutan-1-ol is NCC(CCO)COc1cccnc1.
What is the InChIKey of 3-(aminomethyl)-4-pyridin-3-yloxybutan-1-ol?
The InChIKey is WZKHHQUINAGZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c11-6-9(3-5-13)8-14-10-2-1-4-12-7-10/h1-2,4,7,9,13H,3,5-6,8,11H2.
What are the key properties of 3-(aminomethyl)-4-pyridin-3-yloxybutan-1-ol?
3-(aminomethyl)-4-pyridin-3-yloxybutan-1-ol has a molecular weight of 196.25 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-pyridin-3-yloxybutan-1-ol is sourced from PubChem (CID 117236929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).