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

C11H19N3O — CID 106815072

IUPAC3-[3-ethoxy-1-(methylamino)propyl]pyridin-2-amine
SMILESCCOCCC(NC)c1cccnc1N
InChIInChI=1S/C11H19N3O/c1-3-15-8-6-10(13-2)9-5-4-7-14-11(9)12/h4-5,7,10,13H,3,6,8H2,1-2H3,(H2,12,14)
InChIKeyGBYMYUMHXKJILK-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.35
Rot. Bonds6

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

3-[3-ethoxy-1-(methylamino)propyl]pyridin-2-amine (PubChem CID 106815072) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[3-ethoxy-1-(methylamino)propyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-ethoxy-1-(methylamino)propyl]pyridin-2-amine
PubChem CID106815072
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-[3-ethoxy-1-(methylamino)propyl]pyridin-2-amine
SMILESCCOCCC(NC)c1cccnc1N
InChIInChI=1S/C11H19N3O/c1-3-15-8-6-10(13-2)9-5-4-7-14-11(9)12/h4-5,7,10,13H,3,6,8H2,1-2H3,(H2,12,14)
InChIKeyGBYMYUMHXKJILK-UHFFFAOYSA-N
XLogP1.35
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.35
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

3-[4,4,4-trifluoro-1-(methylamino)butyl]pyridin-2-amine
CID 79954451
3-ethoxy-N-methyl-1-pyridin-2-ylpropan-1-amine
CID 114997349
3-ethoxy-N-methyl-1-naphthalen-1-ylpropan-1-amine
CID 112688299
3-[1-(methylamino)-2-propylsulfanylethyl]pyridin-2-amine
CID 65128801
N-methyl-3-propoxy-1-quinolin-8-ylpropan-1-amine
CID 105172455
3-[2-ethoxy-1-(methylamino)butyl]pyridin-2-amine
CID 116716649
3-(2-ethoxyethoxy)pyridin-2-amine
CID 43457018
3-(1-hydrazinyl-4-methylpentyl)pyridin-2-amine
CID 105207559
3-[1-(propan-2-ylamino)pentyl]pyridin-2-amine
CID 79412342
3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride
CID 171230912
3-ethoxy-N-methyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 105146480
3-[2-cyclohexylsulfanyl-1-(methylamino)ethyl]pyridin-2-amine
CID 65144630

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethoxy-1-(methylamino)propyl]pyridin-2-amine?
The IUPAC name of 3-[3-ethoxy-1-(methylamino)propyl]pyridin-2-amine (CID 106815072) is 3-[3-ethoxy-1-(methylamino)propyl]pyridin-2-amine.
What is the SMILES notation for 3-[3-ethoxy-1-(methylamino)propyl]pyridin-2-amine?
The canonical SMILES for 3-[3-ethoxy-1-(methylamino)propyl]pyridin-2-amine is CCOCCC(NC)c1cccnc1N.
What is the InChIKey of 3-[3-ethoxy-1-(methylamino)propyl]pyridin-2-amine?
The InChIKey is GBYMYUMHXKJILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-15-8-6-10(13-2)9-5-4-7-14-11(9)12/h4-5,7,10,13H,3,6,8H2,1-2H3,(H2,12,14).
What are the key properties of 3-[3-ethoxy-1-(methylamino)propyl]pyridin-2-amine?
3-[3-ethoxy-1-(methylamino)propyl]pyridin-2-amine has a molecular weight of 209.29 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethoxy-1-(methylamino)propyl]pyridin-2-amine is sourced from PubChem (CID 106815072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).