N-ethyl-1-[5-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]propan-1-amine

C16H28N2O3 — CID 103178110

IUPACN-ethyl-1-[5-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]propan-1-amine
SMILESCCNC(CC)c1ccc(OCCOCCCOC)cn1
InChIInChI=1S/C16H28N2O3/c1-4-15(17-5-2)16-8-7-14(13-18-16)21-12-11-20-10-6-9-19-3/h7-8,13,15,17H,4-6,9-12H2,1-3H3
InChIKeyZGSOSZGBMRVNJS-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.57
Rot. Bonds12

About N-ethyl-1-[5-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]propan-1-amine

N-ethyl-1-[5-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]propan-1-amine (PubChem CID 103178110) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-ethyl-1-[5-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[5-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]propan-1-amine
PubChem CID103178110
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC NameN-ethyl-1-[5-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]propan-1-amine
SMILESCCNC(CC)c1ccc(OCCOCCCOC)cn1
InChIInChI=1S/C16H28N2O3/c1-4-15(17-5-2)16-8-7-14(13-18-16)21-12-11-20-10-6-9-19-3/h7-8,13,15,17H,4-6,9-12H2,1-3H3
InChIKeyZGSOSZGBMRVNJS-UHFFFAOYSA-N
XLogP2.57
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-[5-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]ethanamine
CID 103178120
1-[5-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]-N-methylpropan-1-amine
CID 103403032
1-[5-(2-propoxyethoxy)-2-pyridinyl]-N-propylpropan-1-amine
CID 115940129
N-ethyl-1-[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]propan-1-amine
CID 115940076
5-(3-methoxypropoxy)-2-propan-2-ylpyridine
CID 58448811
N-ethyl-1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]propan-1-amine
CID 115940101
6-[1-(ethylamino)propyl]-N,N-dimethylpyridin-3-amine
CID 112584103
(1S)-1-[5-(2-butoxyethoxy)-2-pyridinyl]ethanamine
CID 83123515
1-(5-methoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584694
N-ethyl-1-[5-(4-methylsulfanylphenoxy)-2-pyridinyl]propan-1-amine
CID 115940125
N-ethyl-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine
CID 112584875
N-cyclopropyl-6-[1-(ethylamino)propyl]-N-(2-methoxyethyl)pyridin-3-amine
CID 115939392

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]propan-1-amine?
The IUPAC name of N-ethyl-1-[5-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]propan-1-amine (CID 103178110) is N-ethyl-1-[5-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[5-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[5-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]propan-1-amine is CCNC(CC)c1ccc(OCCOCCCOC)cn1.
What is the InChIKey of N-ethyl-1-[5-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]propan-1-amine?
The InChIKey is ZGSOSZGBMRVNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-4-15(17-5-2)16-8-7-14(13-18-16)21-12-11-20-10-6-9-19-3/h7-8,13,15,17H,4-6,9-12H2,1-3H3.
What are the key properties of N-ethyl-1-[5-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]propan-1-amine?
N-ethyl-1-[5-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]propan-1-amine has a molecular weight of 296.41 g/mol, XLogP of 2.57, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 103178110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).