(3S)-1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]-N-methylpyrrolidin-3-amine

C13H23N3O — CID 141256109

IUPAC(3S)-1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]-N-methylpyrrolidin-3-amine
SMILESCN[C@H]1CCN(C2=CCN(CCOC)C=C2)C1
InChIInChI=1S/C13H23N3O/c1-14-12-3-8-16(11-12)13-4-6-15(7-5-13)9-10-17-2/h4-6,12,14H,3,7-11H2,1-2H3/t12-/m0/s1
InChIKeyYAXQBWGSLUMQGY-LBPRGKRZSA-N
MW237.35 g/mol
LogP0.64
Rot. Bonds5

About (3S)-1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]-N-methylpyrrolidin-3-amine

(3S)-1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]-N-methylpyrrolidin-3-amine (PubChem CID 141256109) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (3S)-1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]-N-methylpyrrolidin-3-amine
PubChem CID141256109
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(3S)-1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]-N-methylpyrrolidin-3-amine
SMILESCN[C@H]1CCN(C2=CCN(CCOC)C=C2)C1
InChIInChI=1S/C13H23N3O/c1-14-12-3-8-16(11-12)13-4-6-15(7-5-13)9-10-17-2/h4-6,12,14H,3,7-11H2,1-2H3/t12-/m0/s1
InChIKeyYAXQBWGSLUMQGY-LBPRGKRZSA-N
XLogP0.64
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]-N-methylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]-N-methylpyrrolidin-3-amine (CID 141256109) is (3S)-1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]-N-methylpyrrolidin-3-amine is CN[C@H]1CCN(C2=CCN(CCOC)C=C2)C1.
What is the InChIKey of (3S)-1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]-N-methylpyrrolidin-3-amine?
The InChIKey is YAXQBWGSLUMQGY-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H23N3O/c1-14-12-3-8-16(11-12)13-4-6-15(7-5-13)9-10-17-2/h4-6,12,14H,3,7-11H2,1-2H3/t12-/m0/s1.
What are the key properties of (3S)-1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]-N-methylpyrrolidin-3-amine?
(3S)-1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]-N-methylpyrrolidin-3-amine has a molecular weight of 237.35 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 141256109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).