2-methoxy-1-pyridin-3-ylbutan-1-amine

C10H16N2O — CID 116715099

IUPAC2-methoxy-1-pyridin-3-ylbutan-1-amine
SMILESCCC(OC)C(N)c1cccnc1
InChIInChI=1S/C10H16N2O/c1-3-9(13-2)10(11)8-5-4-6-12-7-8/h4-7,9-10H,3,11H2,1-2H3
InChIKeyXDCDGIUVVRQADT-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.51
Rot. Bonds4

About 2-methoxy-1-pyridin-3-ylbutan-1-amine

2-methoxy-1-pyridin-3-ylbutan-1-amine (PubChem CID 116715099) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-methoxy-1-pyridin-3-ylbutan-1-amine.

Molecular Properties

Compound Name2-methoxy-1-pyridin-3-ylbutan-1-amine
PubChem CID116715099
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-methoxy-1-pyridin-3-ylbutan-1-amine
SMILESCCC(OC)C(N)c1cccnc1
InChIInChI=1S/C10H16N2O/c1-3-9(13-2)10(11)8-5-4-6-12-7-8/h4-7,9-10H,3,11H2,1-2H3
InChIKeyXDCDGIUVVRQADT-UHFFFAOYSA-N
XLogP1.51
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine
CID 130856661
2-methoxy-1-phenylbutan-1-amine
CID 43211581
2-ethoxy-1-pyridin-3-ylpentan-1-amine
CID 116717421
(1S,2R)-1-amino-1-pyridin-3-ylbutan-2-ol
CID 130710949
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
2-methyl-1-pyridin-3-ylpentan-1-amine
CID 115799302
2-methyl-1-pyridin-3-ylpropane-1,3-diamine
CID 116933165
2-ethoxy-1-pyridin-3-ylbutan-1-ol
CID 116711052
3-(1-amino-2-methoxybutyl)pyridin-2-amine
CID 116715178
4-methoxy-1-pyridin-3-ylpentan-1-amine
CID 105098535
amino(pyridin-3-yl)methanethiol
CID 116939546
(3-methoxy-1-pyridin-3-ylpentan-2-yl)hydrazine
CID 105270707

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-pyridin-3-ylbutan-1-amine?
The IUPAC name of 2-methoxy-1-pyridin-3-ylbutan-1-amine (CID 116715099) is 2-methoxy-1-pyridin-3-ylbutan-1-amine.
What is the SMILES notation for 2-methoxy-1-pyridin-3-ylbutan-1-amine?
The canonical SMILES for 2-methoxy-1-pyridin-3-ylbutan-1-amine is CCC(OC)C(N)c1cccnc1.
What is the InChIKey of 2-methoxy-1-pyridin-3-ylbutan-1-amine?
The InChIKey is XDCDGIUVVRQADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-9(13-2)10(11)8-5-4-6-12-7-8/h4-7,9-10H,3,11H2,1-2H3.
What are the key properties of 2-methoxy-1-pyridin-3-ylbutan-1-amine?
2-methoxy-1-pyridin-3-ylbutan-1-amine has a molecular weight of 180.25 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-pyridin-3-ylbutan-1-amine is sourced from PubChem (CID 116715099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).