(3R)-N-methyl-1-[1-(oxan-4-yl)-2H-pyridin-4-yl]pyrrolidin-3-amine

C15H25N3O — CID 141471700

IUPAC(3R)-N-methyl-1-[1-(oxan-4-yl)-2H-pyridin-4-yl]pyrrolidin-3-amine
SMILESCN[C@@H]1CCN(C2=CCN(C3CCOCC3)C=C2)C1
InChIInChI=1S/C15H25N3O/c1-16-13-2-7-18(12-13)14-3-8-17(9-4-14)15-5-10-19-11-6-15/h3-4,8,13,15-16H,2,5-7,9-12H2,1H3/t13-/m1/s1
InChIKeyQWWAXOUYDGDQMS-CYBMUJFWSA-N
MW263.38 g/mol
LogP1.17
Rot. Bonds3

About (3R)-N-methyl-1-[1-(oxan-4-yl)-2H-pyridin-4-yl]pyrrolidin-3-amine

(3R)-N-methyl-1-[1-(oxan-4-yl)-2H-pyridin-4-yl]pyrrolidin-3-amine (PubChem CID 141471700) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (3R)-N-methyl-1-[1-(oxan-4-yl)-2H-pyridin-4-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-methyl-1-[1-(oxan-4-yl)-2H-pyridin-4-yl]pyrrolidin-3-amine
PubChem CID141471700
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(3R)-N-methyl-1-[1-(oxan-4-yl)-2H-pyridin-4-yl]pyrrolidin-3-amine
SMILESCN[C@@H]1CCN(C2=CCN(C3CCOCC3)C=C2)C1
InChIInChI=1S/C15H25N3O/c1-16-13-2-7-18(12-13)14-3-8-17(9-4-14)15-5-10-19-11-6-15/h3-4,8,13,15-16H,2,5-7,9-12H2,1H3/t13-/m1/s1
InChIKeyQWWAXOUYDGDQMS-CYBMUJFWSA-N
XLogP1.17
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]-N-methylpyrrolidin-3-amine
CID 141256099
(3S)-1-[1-(2-methoxyethyl)-2H-pyridin-4-yl]-N-methylpyrrolidin-3-amine
CID 141256109
N-(oxan-4-yl)-1-prop-1-en-2-ylpyrrolidin-3-amine
CID 143675078
N-methyl-N-(oxan-4-yl)-1,2-dihydropyridin-4-amine
CID 86341860

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-1-[1-(oxan-4-yl)-2H-pyridin-4-yl]pyrrolidin-3-amine?
The IUPAC name of (3R)-N-methyl-1-[1-(oxan-4-yl)-2H-pyridin-4-yl]pyrrolidin-3-amine (CID 141471700) is (3R)-N-methyl-1-[1-(oxan-4-yl)-2H-pyridin-4-yl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-methyl-1-[1-(oxan-4-yl)-2H-pyridin-4-yl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-N-methyl-1-[1-(oxan-4-yl)-2H-pyridin-4-yl]pyrrolidin-3-amine is CN[C@@H]1CCN(C2=CCN(C3CCOCC3)C=C2)C1.
What is the InChIKey of (3R)-N-methyl-1-[1-(oxan-4-yl)-2H-pyridin-4-yl]pyrrolidin-3-amine?
The InChIKey is QWWAXOUYDGDQMS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N3O/c1-16-13-2-7-18(12-13)14-3-8-17(9-4-14)15-5-10-19-11-6-15/h3-4,8,13,15-16H,2,5-7,9-12H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-N-methyl-1-[1-(oxan-4-yl)-2H-pyridin-4-yl]pyrrolidin-3-amine?
(3R)-N-methyl-1-[1-(oxan-4-yl)-2H-pyridin-4-yl]pyrrolidin-3-amine has a molecular weight of 263.38 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-1-[1-(oxan-4-yl)-2H-pyridin-4-yl]pyrrolidin-3-amine is sourced from PubChem (CID 141471700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).