N-(2-methoxyethyl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine

C12H19N3O — CID 95846439

IUPACN-(2-methoxyethyl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
SMILESCOCCNc1cccc([C@@H]2CCCN2)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)/t10-/m0/s1
InChIKeyIHEPCZZSKYWUTM-JTQLQIEISA-N
MW221.30 g/mol
LogP1.56
Rot. Bonds5

About N-(2-methoxyethyl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine

N-(2-methoxyethyl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine (PubChem CID 95846439) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
PubChem CID95846439
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(2-methoxyethyl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
SMILESCOCCNc1cccc([C@@H]2CCCN2)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)/t10-/m0/s1
InChIKeyIHEPCZZSKYWUTM-JTQLQIEISA-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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Related Compounds

N-[2-(3-methylpyrazol-1-yl)ethyl]-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 95846697
6-methyl-N-(6-pyrrolidin-2-yl-2-pyridinyl)pyridin-2-amine;hydrochloride
CID 71298661
6-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104972856
4-methyl-N-(6-pyrrolidin-2-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 73439798
N-(oxan-4-yl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 95846768
N-(2-methoxyethyl)-3-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 162855237
N-methyl-6-[(2R)-pyrrolidin-2-yl]pyridine-2-carboxamide
CID 95804724
6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 55274090
2-fluoro-6-[(2R)-pyrrolidin-2-yl]pyridine
CID 131118553
2-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-2-ylpyridine
CID 110101884
2-N-cyclopentyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112884308
N-cyclohexyl-6-[(2R)-pyrrolidin-2-yl]pyridine-2-carboxamide
CID 95846810

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine (CID 95846439) is N-(2-methoxyethyl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine is COCCNc1cccc([C@@H]2CCCN2)n1.
What is the InChIKey of N-(2-methoxyethyl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine?
The InChIKey is IHEPCZZSKYWUTM-JTQLQIEISA-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)/t10-/m0/s1.
What are the key properties of N-(2-methoxyethyl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine?
N-(2-methoxyethyl)-6-[(2S)-pyrrolidin-2-yl]pyridin-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-[(2S)-pyrrolidin-2-yl]pyridin-2-amine is sourced from PubChem (CID 95846439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).