3-[5-(3-ethoxypropoxy)-3-pyridinyl]prop-2-yn-1-amine

C13H18N2O2 — CID 65180339

IUPAC3-[5-(3-ethoxypropoxy)-3-pyridinyl]prop-2-yn-1-amine
SMILESCCOCCCOc1cncc(C#CCN)c1
InChIInChI=1S/C13H18N2O2/c1-2-16-7-4-8-17-13-9-12(5-3-6-14)10-15-11-13/h9-11H,2,4,6-8,14H2,1H3
InChIKeyAZPIQXBVKKXGLK-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.20
Rot. Bonds6

About 3-[5-(3-ethoxypropoxy)-3-pyridinyl]prop-2-yn-1-amine

3-[5-(3-ethoxypropoxy)-3-pyridinyl]prop-2-yn-1-amine (PubChem CID 65180339) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-[5-(3-ethoxypropoxy)-3-pyridinyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[5-(3-ethoxypropoxy)-3-pyridinyl]prop-2-yn-1-amine
PubChem CID65180339
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-[5-(3-ethoxypropoxy)-3-pyridinyl]prop-2-yn-1-amine
SMILESCCOCCCOc1cncc(C#CCN)c1
InChIInChI=1S/C13H18N2O2/c1-2-16-7-4-8-17-13-9-12(5-3-6-14)10-15-11-13/h9-11H,2,4,6-8,14H2,1H3
InChIKeyAZPIQXBVKKXGLK-UHFFFAOYSA-N
XLogP1.20
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]prop-2-yn-1-amine
CID 112591149
6-(5-ethoxy-3-pyridinyl)hex-5-yn-1-amine
CID 106208818
3-[3-(2-ethoxyethoxy)-5-fluorophenyl]prop-2-yn-1-amine
CID 81325990
5-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N-ethylpyridine-3-sulfonamide
CID 63692569
3-[3-[2-[2-ethoxyethyl(ethyl)amino]ethoxy]phenyl]prop-2-yn-1-amine
CID 63690863
3-[5-[(2-chloro-4-methylphenyl)methoxy]-3-pyridinyl]prop-2-yn-1-amine
CID 106868940
3-[5-[(3,4-difluorophenyl)methoxy]-3-pyridinyl]prop-2-yn-1-amine
CID 82922857
3-(4-chlorobut-1-ynyl)-5-(2-fluoroethoxy)pyridine
CID 80694312
3-[2-(3-ethoxypropoxy)-5-fluorophenyl]prop-2-yn-1-amine
CID 65181168
methyl 5-(3-aminoprop-1-ynyl)pyridine-3-carboxylate;hydrochloride
CID 163333350
3-[3-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]prop-2-yn-1-amine
CID 61492088
3-[[5-(3-aminoprop-1-ynyl)-3-pyridinyl]oxymethyl]-2-fluorobenzonitrile
CID 107119193

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-ethoxypropoxy)-3-pyridinyl]prop-2-yn-1-amine?
The IUPAC name of 3-[5-(3-ethoxypropoxy)-3-pyridinyl]prop-2-yn-1-amine (CID 65180339) is 3-[5-(3-ethoxypropoxy)-3-pyridinyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[5-(3-ethoxypropoxy)-3-pyridinyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[5-(3-ethoxypropoxy)-3-pyridinyl]prop-2-yn-1-amine is CCOCCCOc1cncc(C#CCN)c1.
What is the InChIKey of 3-[5-(3-ethoxypropoxy)-3-pyridinyl]prop-2-yn-1-amine?
The InChIKey is AZPIQXBVKKXGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-16-7-4-8-17-13-9-12(5-3-6-14)10-15-11-13/h9-11H,2,4,6-8,14H2,1H3.
What are the key properties of 3-[5-(3-ethoxypropoxy)-3-pyridinyl]prop-2-yn-1-amine?
3-[5-(3-ethoxypropoxy)-3-pyridinyl]prop-2-yn-1-amine has a molecular weight of 234.30 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-ethoxypropoxy)-3-pyridinyl]prop-2-yn-1-amine is sourced from PubChem (CID 65180339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).