3-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]prop-2-yn-1-amine

C14H20N2O2 — CID 112591149

IUPAC3-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]prop-2-yn-1-amine
SMILESCC(C)(C)OCCOc1cncc(C#CCN)c1
InChIInChI=1S/C14H20N2O2/c1-14(2,3)18-8-7-17-13-9-12(5-4-6-15)10-16-11-13/h9-11H,6-8,15H2,1-3H3
InChIKeyYLRMCTFZXCGRLU-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.59
Rot. Bonds4

About 3-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]prop-2-yn-1-amine

3-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]prop-2-yn-1-amine (PubChem CID 112591149) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]prop-2-yn-1-amine
PubChem CID112591149
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]prop-2-yn-1-amine
SMILESCC(C)(C)OCCOc1cncc(C#CCN)c1
InChIInChI=1S/C14H20N2O2/c1-14(2,3)18-8-7-17-13-9-12(5-4-6-15)10-16-11-13/h9-11H,6-8,15H2,1-3H3
InChIKeyYLRMCTFZXCGRLU-UHFFFAOYSA-N
XLogP1.59
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.59
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-(3-ethoxypropoxy)-3-pyridinyl]prop-2-yn-1-amine
CID 65180339
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
6-(5-ethoxy-3-pyridinyl)hex-5-yn-1-amine
CID 106208818
methyl 5-(3-aminoprop-1-ynyl)pyridine-3-carboxylate;hydrochloride
CID 163333350
3-[[5-(3-aminoprop-1-ynyl)-3-pyridinyl]oxymethyl]-2-fluorobenzonitrile
CID 107119193
3-[3-(4,4-dimethylpentoxy)phenyl]prop-2-yn-1-amine
CID 114210068
5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyridine-3-carbonitrile
CID 174070466
methyl 2-[[5-(3-aminoprop-1-ynyl)pyridine-3-carbonyl]amino]acetate
CID 54974362
3-[4-[2-(3,3-dimethylbutoxy)ethoxy]phenyl]prop-2-yn-1-amine
CID 66227177
4-[2-[5-(2-(18F)fluoroethoxy)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
CID 10467832

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]prop-2-yn-1-amine?
The IUPAC name of 3-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]prop-2-yn-1-amine (CID 112591149) is 3-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]prop-2-yn-1-amine is CC(C)(C)OCCOc1cncc(C#CCN)c1.
What is the InChIKey of 3-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]prop-2-yn-1-amine?
The InChIKey is YLRMCTFZXCGRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2,3)18-8-7-17-13-9-12(5-4-6-15)10-16-11-13/h9-11H,6-8,15H2,1-3H3.
What are the key properties of 3-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]prop-2-yn-1-amine?
3-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]prop-2-yn-1-amine has a molecular weight of 248.33 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]prop-2-yn-1-amine is sourced from PubChem (CID 112591149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).