N-ethyl-1-[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]propan-1-amine

C16H27N3O — CID 115940076

IUPACN-ethyl-1-[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]propan-1-amine
SMILESCCNC(CC)c1ccc(OCCN2CCCC2)cn1
InChIInChI=1S/C16H27N3O/c1-3-15(17-4-2)16-8-7-14(13-18-16)20-12-11-19-9-5-6-10-19/h7-8,13,15,17H,3-6,9-12H2,1-2H3
InChIKeyBQMDAEFHJVVWIJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.62
Rot. Bonds8

About N-ethyl-1-[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]propan-1-amine

N-ethyl-1-[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]propan-1-amine (PubChem CID 115940076) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-ethyl-1-[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]propan-1-amine
PubChem CID115940076
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-ethyl-1-[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]propan-1-amine
SMILESCCNC(CC)c1ccc(OCCN2CCCC2)cn1
InChIInChI=1S/C16H27N3O/c1-3-15(17-4-2)16-8-7-14(13-18-16)20-12-11-19-9-5-6-10-19/h7-8,13,15,17H,3-6,9-12H2,1-2H3
InChIKeyBQMDAEFHJVVWIJ-UHFFFAOYSA-N
XLogP2.62
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine
CID 60888208
N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine
CID 79776328
N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79782097
1-[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]butan-2-amine
CID 79795763
N-ethyl-1-(5-fluoro-2-pyridinyl)-3-piperidin-1-ylpropan-1-amine
CID 83126704
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
N-ethyl-1-[5-(4-methylsulfanylphenoxy)-2-pyridinyl]propan-1-amine
CID 115940125
1-[5-(2-propoxyethoxy)-2-pyridinyl]-N-propylpropan-1-amine
CID 115940129
N-ethyl-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine
CID 112584875
1-(5-ethoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584697
N-ethyl-1-[5-(2-methylphenoxy)-2-pyridinyl]propan-1-amine
CID 115939959
1-[2-(4-propylphenoxy)ethyl]pyrrolidine
CID 54244276

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]propan-1-amine?
The IUPAC name of N-ethyl-1-[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]propan-1-amine (CID 115940076) is N-ethyl-1-[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]propan-1-amine is CCNC(CC)c1ccc(OCCN2CCCC2)cn1.
What is the InChIKey of N-ethyl-1-[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]propan-1-amine?
The InChIKey is BQMDAEFHJVVWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-15(17-4-2)16-8-7-14(13-18-16)20-12-11-19-9-5-6-10-19/h7-8,13,15,17H,3-6,9-12H2,1-2H3.
What are the key properties of N-ethyl-1-[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]propan-1-amine?
N-ethyl-1-[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 115940076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).