N-(2-methoxyethyl)-6-pyrrolidin-2-ylpyridin-2-amine

C12H19N3O — CID 73440560

IUPACN-(2-methoxyethyl)-6-pyrrolidin-2-ylpyridin-2-amine
SMILESCOCCNc1cccc(C2CCCN2)n1
InChIInChI=1S/C12H19N3O/c1-16-9-8-14-12-6-2-4-11(15-12)10-5-3-7-13-10/h2,4,6,10,13H,3,5,7-9H2,1H3,(H,14,15)
InChIKeyIHEPCZZSKYWUTM-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.56
Rot. Bonds5

About N-(2-methoxyethyl)-6-pyrrolidin-2-ylpyridin-2-amine

N-(2-methoxyethyl)-6-pyrrolidin-2-ylpyridin-2-amine (PubChem CID 73440560) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-pyrrolidin-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-pyrrolidin-2-ylpyridin-2-amine
PubChem CID73440560
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(2-methoxyethyl)-6-pyrrolidin-2-ylpyridin-2-amine
SMILESCOCCNc1cccc(C2CCCN2)n1
InChIInChI=1S/C12H19N3O/c1-16-9-8-14-12-6-2-4-11(15-12)10-5-3-7-13-10/h2,4,6,10,13H,3,5,7-9H2,1H3,(H,14,15)
InChIKeyIHEPCZZSKYWUTM-UHFFFAOYSA-N
XLogP1.56
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.56
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-pyrrolidin-2-ylpyridin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-6-pyrrolidin-2-ylpyridin-2-amine (CID 73440560) is N-(2-methoxyethyl)-6-pyrrolidin-2-ylpyridin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-6-pyrrolidin-2-ylpyridin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-6-pyrrolidin-2-ylpyridin-2-amine is COCCNc1cccc(C2CCCN2)n1.
What is the InChIKey of N-(2-methoxyethyl)-6-pyrrolidin-2-ylpyridin-2-amine?
The InChIKey is IHEPCZZSKYWUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-16-9-8-14-12-6-2-4-11(15-12)10-5-3-7-13-10/h2,4,6,10,13H,3,5,7-9H2,1H3,(H,14,15).
What are the key properties of N-(2-methoxyethyl)-6-pyrrolidin-2-ylpyridin-2-amine?
N-(2-methoxyethyl)-6-pyrrolidin-2-ylpyridin-2-amine has a molecular weight of 221.30 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-pyrrolidin-2-ylpyridin-2-amine is sourced from PubChem (CID 73440560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).