4-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)pyridin-2-amine

C12H20N4O — CID 58227177

IUPAC4-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)pyridin-2-amine
SMILESCOCCNc1cc(N2CC[C@@H](N)C2)ccn1
InChIInChI=1S/C12H20N4O/c1-17-7-5-15-12-8-11(2-4-14-12)16-6-3-10(13)9-16/h2,4,8,10H,3,5-7,9,13H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyXTRSNNDFWWVAJZ-SNVBAGLBSA-N
MW236.32 g/mol
LogP0.68
Rot. Bonds5

About 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)pyridin-2-amine

4-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)pyridin-2-amine (PubChem CID 58227177) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)pyridin-2-amine
PubChem CID58227177
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)pyridin-2-amine
SMILESCOCCNc1cc(N2CC[C@@H](N)C2)ccn1
InChIInChI=1S/C12H20N4O/c1-17-7-5-15-12-8-11(2-4-14-12)16-6-3-10(13)9-16/h2,4,8,10H,3,5-7,9,13H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyXTRSNNDFWWVAJZ-SNVBAGLBSA-N
XLogP0.68
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)pyridin-2-amine?
The IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)pyridin-2-amine (CID 58227177) is 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)pyridin-2-amine.
What is the SMILES notation for 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)pyridin-2-amine?
The canonical SMILES for 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)pyridin-2-amine is COCCNc1cc(N2CC[C@@H](N)C2)ccn1.
What is the InChIKey of 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)pyridin-2-amine?
The InChIKey is XTRSNNDFWWVAJZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N4O/c1-17-7-5-15-12-8-11(2-4-14-12)16-6-3-10(13)9-16/h2,4,8,10H,3,5-7,9,13H2,1H3,(H,14,15)/t10-/m1/s1.
What are the key properties of 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)pyridin-2-amine?
4-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)pyridin-2-amine has a molecular weight of 236.32 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)pyridin-2-amine is sourced from PubChem (CID 58227177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).