N-methyl-1-[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]ethanamine

C13H21N3O — CID 112741376

IUPACN-methyl-1-[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]ethanamine
SMILESCNC(C)c1ccc(OC2CCN(C)C2)cn1
InChIInChI=1S/C13H21N3O/c1-10(14-2)13-5-4-11(8-15-13)17-12-6-7-16(3)9-12/h4-5,8,10,12,14H,6-7,9H2,1-3H3
InChIKeyFOKFYSCXDNLJFF-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.44
Rot. Bonds4

About N-methyl-1-[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]ethanamine

N-methyl-1-[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]ethanamine (PubChem CID 112741376) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-methyl-1-[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]ethanamine
PubChem CID112741376
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-methyl-1-[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]ethanamine
SMILESCNC(C)c1ccc(OC2CCN(C)C2)cn1
InChIInChI=1S/C13H21N3O/c1-10(14-2)13-5-4-11(8-15-13)17-12-6-7-16(3)9-12/h4-5,8,10,12,14H,6-7,9H2,1-3H3
InChIKeyFOKFYSCXDNLJFF-UHFFFAOYSA-N
XLogP1.44
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]ethanamine?
The IUPAC name of N-methyl-1-[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]ethanamine (CID 112741376) is N-methyl-1-[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]ethanamine?
The canonical SMILES for N-methyl-1-[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]ethanamine is CNC(C)c1ccc(OC2CCN(C)C2)cn1.
What is the InChIKey of N-methyl-1-[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]ethanamine?
The InChIKey is FOKFYSCXDNLJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(14-2)13-5-4-11(8-15-13)17-12-6-7-16(3)9-12/h4-5,8,10,12,14H,6-7,9H2,1-3H3.
What are the key properties of N-methyl-1-[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]ethanamine?
N-methyl-1-[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]ethanamine is sourced from PubChem (CID 112741376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).