N-ethyl-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]ethanamine

C17H23N3O — CID 83109421

IUPACN-ethyl-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]ethanamine
SMILESCCNC(C)c1ccc(OCCCc2ccncc2)cn1
InChIInChI=1S/C17H23N3O/c1-3-19-14(2)17-7-6-16(13-20-17)21-12-4-5-15-8-10-18-11-9-15/h6-11,13-14,19H,3-5,12H2,1-2H3
InChIKeyWARHUKCXJURZAM-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.16
Rot. Bonds8

About N-ethyl-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]ethanamine

N-ethyl-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]ethanamine (PubChem CID 83109421) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-ethyl-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]ethanamine
PubChem CID83109421
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-ethyl-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]ethanamine
SMILESCCNC(C)c1ccc(OCCCc2ccncc2)cn1
InChIInChI=1S/C17H23N3O/c1-3-19-14(2)17-7-6-16(13-20-17)21-12-4-5-15-8-10-18-11-9-15/h6-11,13-14,19H,3-5,12H2,1-2H3
InChIKeyWARHUKCXJURZAM-UHFFFAOYSA-N
XLogP3.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-[4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine
CID 43285904
N-ethyl-1-(5-heptoxy-2-pyridinyl)ethanamine
CID 83124328
(1R)-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]propan-1-amine
CID 103937833
N-ethyl-1-[5-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]ethanamine
CID 103178120
[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanamine
CID 113320443
N-ethyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-pyridinyl]ethanamine
CID 83126880
3-[[6-[1-(propylamino)ethyl]-3-pyridinyl]oxy]propan-1-ol
CID 83124172
N-ethyl-1-[5-(4-methylphenoxy)-2-pyridinyl]ethanamine
CID 83128001
N-ethyl-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83111971
N-methyl-1-(5-pentoxy-2-pyridinyl)ethanamine
CID 83123208
N-[1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethyl]propan-1-amine
CID 83124267
N-ethyl-1-[5-[(3-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine
CID 83111596

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]ethanamine?
The IUPAC name of N-ethyl-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]ethanamine (CID 83109421) is N-ethyl-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]ethanamine is CCNC(C)c1ccc(OCCCc2ccncc2)cn1.
What is the InChIKey of N-ethyl-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]ethanamine?
The InChIKey is WARHUKCXJURZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-19-14(2)17-7-6-16(13-20-17)21-12-4-5-15-8-10-18-11-9-15/h6-11,13-14,19H,3-5,12H2,1-2H3.
What are the key properties of N-ethyl-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]ethanamine?
N-ethyl-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.16, 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-(3-pyridin-4-ylpropoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83109421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).