N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine

C14H23N3O — CID 79776328

IUPACN-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(OCCN2CCCC2)cn1
InChIInChI=1S/C14H23N3O/c1-2-15-11-13-5-6-14(12-16-13)18-10-9-17-7-3-4-8-17/h5-6,12,15H,2-4,7-11H2,1H3
InChIKeyQVSKXGVWOGIOTG-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.67
Rot. Bonds7

About N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine

N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine (PubChem CID 79776328) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine
PubChem CID79776328
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(OCCN2CCCC2)cn1
InChIInChI=1S/C14H23N3O/c1-2-15-11-13-5-6-14(12-16-13)18-10-9-17-7-3-4-8-17/h5-6,12,15H,2-4,7-11H2,1H3
InChIKeyQVSKXGVWOGIOTG-UHFFFAOYSA-N
XLogP1.67
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine
CID 79789474
N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79782097
N-[[6-(2-piperidin-1-ylethoxy)pyridazin-3-yl]methyl]ethanamine
CID 62297868
N-[[5-(2-fluoroethoxy)-2-pyridinyl]methyl]ethanamine
CID 80700229
1-[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]butan-2-amine
CID 79795763
2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylethanone
CID 79775446
N-[(5-ethoxy-2-pyridinyl)methyl]ethanamine
CID 79775704
N-[[5-(2-phenoxyethoxy)-2-pyridinyl]methyl]ethanamine
CID 79775994
4-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]butan-1-ol
CID 79776524
2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 79776683
N-[[5-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79783048
N-ethyl-1-[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]propan-1-amine
CID 115940076

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine (CID 79776328) is N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine is CCNCc1ccc(OCCN2CCCC2)cn1.
What is the InChIKey of N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine?
The InChIKey is QVSKXGVWOGIOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-15-11-13-5-6-14(12-16-13)18-10-9-17-7-3-4-8-17/h5-6,12,15H,2-4,7-11H2,1H3.
What are the key properties of N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine?
N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine has a molecular weight of 249.36 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 79776328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).