N,N-dimethyl-2-[(5-pyrrolidin-1-yl-3-pyridinyl)oxy]ethanamine

C13H21N3O — CID 122182214

IUPACN,N-dimethyl-2-[(5-pyrrolidin-1-yl-3-pyridinyl)oxy]ethanamine
SMILESCN(C)CCOc1cncc(N2CCCC2)c1
InChIInChI=1S/C13H21N3O/c1-15(2)7-8-17-13-9-12(10-14-11-13)16-5-3-4-6-16/h9-11H,3-8H2,1-2H3
InChIKeyYARLOACCXFVQRQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.62
Rot. Bonds5

About N,N-dimethyl-2-[(5-pyrrolidin-1-yl-3-pyridinyl)oxy]ethanamine

N,N-dimethyl-2-[(5-pyrrolidin-1-yl-3-pyridinyl)oxy]ethanamine (PubChem CID 122182214) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N,N-dimethyl-2-[(5-pyrrolidin-1-yl-3-pyridinyl)oxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(5-pyrrolidin-1-yl-3-pyridinyl)oxy]ethanamine
PubChem CID122182214
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN,N-dimethyl-2-[(5-pyrrolidin-1-yl-3-pyridinyl)oxy]ethanamine
SMILESCN(C)CCOc1cncc(N2CCCC2)c1
InChIInChI=1S/C13H21N3O/c1-15(2)7-8-17-13-9-12(10-14-11-13)16-5-3-4-6-16/h9-11H,3-8H2,1-2H3
InChIKeyYARLOACCXFVQRQ-UHFFFAOYSA-N
XLogP1.62
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(5-pyrrolidin-1-yl-3-pyridinyl)oxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[(5-pyrrolidin-1-yl-3-pyridinyl)oxy]ethanamine (CID 122182214) is N,N-dimethyl-2-[(5-pyrrolidin-1-yl-3-pyridinyl)oxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(5-pyrrolidin-1-yl-3-pyridinyl)oxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[(5-pyrrolidin-1-yl-3-pyridinyl)oxy]ethanamine is CN(C)CCOc1cncc(N2CCCC2)c1.
What is the InChIKey of N,N-dimethyl-2-[(5-pyrrolidin-1-yl-3-pyridinyl)oxy]ethanamine?
The InChIKey is YARLOACCXFVQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-15(2)7-8-17-13-9-12(10-14-11-13)16-5-3-4-6-16/h9-11H,3-8H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[(5-pyrrolidin-1-yl-3-pyridinyl)oxy]ethanamine?
N,N-dimethyl-2-[(5-pyrrolidin-1-yl-3-pyridinyl)oxy]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(5-pyrrolidin-1-yl-3-pyridinyl)oxy]ethanamine is sourced from PubChem (CID 122182214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).