6-(3-aminopyrrolidin-1-yl)-2-ethoxypyridin-3-amine

C11H18N4O — CID 22598693

IUPAC6-(3-aminopyrrolidin-1-yl)-2-ethoxypyridin-3-amine
SMILESCCOc1nc(N2CCC(N)C2)ccc1N
InChIInChI=1S/C11H18N4O/c1-2-16-11-9(13)3-4-10(14-11)15-6-5-8(12)7-15/h3-4,8H,2,5-7,12-13H2,1H3
InChIKeyJHKGVALSMIIMHM-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.60
Rot. Bonds3

About 6-(3-aminopyrrolidin-1-yl)-2-ethoxypyridin-3-amine

6-(3-aminopyrrolidin-1-yl)-2-ethoxypyridin-3-amine (PubChem CID 22598693) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-(3-aminopyrrolidin-1-yl)-2-ethoxypyridin-3-amine.

Molecular Properties

Compound Name6-(3-aminopyrrolidin-1-yl)-2-ethoxypyridin-3-amine
PubChem CID22598693
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name6-(3-aminopyrrolidin-1-yl)-2-ethoxypyridin-3-amine
SMILESCCOc1nc(N2CCC(N)C2)ccc1N
InChIInChI=1S/C11H18N4O/c1-2-16-11-9(13)3-4-10(14-11)15-6-5-8(12)7-15/h3-4,8H,2,5-7,12-13H2,1H3
InChIKeyJHKGVALSMIIMHM-UHFFFAOYSA-N
XLogP0.60
TPSA77.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopyrrolidin-1-yl)-2-ethoxypyridin-3-amine?
The IUPAC name of 6-(3-aminopyrrolidin-1-yl)-2-ethoxypyridin-3-amine (CID 22598693) is 6-(3-aminopyrrolidin-1-yl)-2-ethoxypyridin-3-amine.
What is the SMILES notation for 6-(3-aminopyrrolidin-1-yl)-2-ethoxypyridin-3-amine?
The canonical SMILES for 6-(3-aminopyrrolidin-1-yl)-2-ethoxypyridin-3-amine is CCOc1nc(N2CCC(N)C2)ccc1N.
What is the InChIKey of 6-(3-aminopyrrolidin-1-yl)-2-ethoxypyridin-3-amine?
The InChIKey is JHKGVALSMIIMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-16-11-9(13)3-4-10(14-11)15-6-5-8(12)7-15/h3-4,8H,2,5-7,12-13H2,1H3.
What are the key properties of 6-(3-aminopyrrolidin-1-yl)-2-ethoxypyridin-3-amine?
6-(3-aminopyrrolidin-1-yl)-2-ethoxypyridin-3-amine has a molecular weight of 222.29 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopyrrolidin-1-yl)-2-ethoxypyridin-3-amine is sourced from PubChem (CID 22598693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).