N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridin-2-amine

C14H23N3O — CID 80870418

IUPACN-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridin-2-amine
SMILESCCNc1cccc(OCCC2CCCN2C)n1
InChIInChI=1S/C14H23N3O/c1-3-15-13-7-4-8-14(16-13)18-11-9-12-6-5-10-17(12)2/h4,7-8,12H,3,5-6,9-11H2,1-2H3,(H,15,16)
InChIKeyOINQETUIAKLFTJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.38
Rot. Bonds6

About N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridin-2-amine

N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridin-2-amine (PubChem CID 80870418) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridin-2-amine
PubChem CID80870418
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridin-2-amine
SMILESCCNc1cccc(OCCC2CCCN2C)n1
InChIInChI=1S/C14H23N3O/c1-3-15-13-7-4-8-14(16-13)18-11-9-12-6-5-10-17(12)2/h4,7-8,12H,3,5-6,9-11H2,1-2H3,(H,15,16)
InChIKeyOINQETUIAKLFTJ-UHFFFAOYSA-N
XLogP2.38
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridin-2-amine?
The IUPAC name of N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridin-2-amine (CID 80870418) is N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridin-2-amine.
What is the SMILES notation for N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridin-2-amine?
The canonical SMILES for N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridin-2-amine is CCNc1cccc(OCCC2CCCN2C)n1.
What is the InChIKey of N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridin-2-amine?
The InChIKey is OINQETUIAKLFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-15-13-7-4-8-14(16-13)18-11-9-12-6-5-10-17(12)2/h4,7-8,12H,3,5-6,9-11H2,1-2H3,(H,15,16).
What are the key properties of N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridin-2-amine?
N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridin-2-amine is sourced from PubChem (CID 80870418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).