3-[2-ethoxy-1-(methylamino)butyl]pyridin-2-amine

C12H21N3O — CID 116716649

IUPAC3-[2-ethoxy-1-(methylamino)butyl]pyridin-2-amine
SMILESCCOC(CC)C(NC)c1cccnc1N
InChIInChI=1S/C12H21N3O/c1-4-10(16-5-2)11(14-3)9-7-6-8-15-12(9)13/h6-8,10-11,14H,4-5H2,1-3H3,(H2,13,15)
InChIKeyPESKIBLMXUVJJM-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.74
Rot. Bonds6

About 3-[2-ethoxy-1-(methylamino)butyl]pyridin-2-amine

3-[2-ethoxy-1-(methylamino)butyl]pyridin-2-amine (PubChem CID 116716649) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[2-ethoxy-1-(methylamino)butyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-ethoxy-1-(methylamino)butyl]pyridin-2-amine
PubChem CID116716649
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-[2-ethoxy-1-(methylamino)butyl]pyridin-2-amine
SMILESCCOC(CC)C(NC)c1cccnc1N
InChIInChI=1S/C12H21N3O/c1-4-10(16-5-2)11(14-3)9-7-6-8-15-12(9)13/h6-8,10-11,14H,4-5H2,1-3H3,(H2,13,15)
InChIKeyPESKIBLMXUVJJM-UHFFFAOYSA-N
XLogP1.74
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-amino-2-ethoxybutyl)pyridin-2-amine
CID 116716352
3-(1-amino-2-methoxybutyl)pyridin-2-amine
CID 116715178
2-ethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116716585
3-[3-ethoxy-1-(methylamino)propyl]pyridin-2-amine
CID 106815072
3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride
CID 171230912
1-(2-amino-3-pyridinyl)-2-ethoxy-3,3-dimethylbutan-1-ol
CID 116713305
3-[(3S)-2-methylpentan-3-yl]pyridin-2-amine
CID 176663633
3-(1-hydrazinyl-2-methoxypropyl)pyridin-2-amine
CID 105246942
2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-1-amine
CID 116716584
(1R,2R)-2-amino-1-(2-amino-3-pyridinyl)butan-1-ol
CID 130848050
3-[1-(methylamino)-2-propylsulfanylethyl]pyridin-2-amine
CID 65128801
2-ethoxy-1-(2-methoxyphenyl)-N-methylpentan-1-amine
CID 116717712

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethoxy-1-(methylamino)butyl]pyridin-2-amine?
The IUPAC name of 3-[2-ethoxy-1-(methylamino)butyl]pyridin-2-amine (CID 116716649) is 3-[2-ethoxy-1-(methylamino)butyl]pyridin-2-amine.
What is the SMILES notation for 3-[2-ethoxy-1-(methylamino)butyl]pyridin-2-amine?
The canonical SMILES for 3-[2-ethoxy-1-(methylamino)butyl]pyridin-2-amine is CCOC(CC)C(NC)c1cccnc1N.
What is the InChIKey of 3-[2-ethoxy-1-(methylamino)butyl]pyridin-2-amine?
The InChIKey is PESKIBLMXUVJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-10(16-5-2)11(14-3)9-7-6-8-15-12(9)13/h6-8,10-11,14H,4-5H2,1-3H3,(H2,13,15).
What are the key properties of 3-[2-ethoxy-1-(methylamino)butyl]pyridin-2-amine?
3-[2-ethoxy-1-(methylamino)butyl]pyridin-2-amine has a molecular weight of 223.32 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxy-1-(methylamino)butyl]pyridin-2-amine is sourced from PubChem (CID 116716649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).