6-(5-ethoxy-3-pyridinyl)hex-5-yn-1-amine

C13H18N2O — CID 106208818

IUPAC6-(5-ethoxy-3-pyridinyl)hex-5-yn-1-amine
SMILESCCOc1cncc(C#CCCCCN)c1
InChIInChI=1S/C13H18N2O/c1-2-16-13-9-12(10-15-11-13)7-5-3-4-6-8-14/h9-11H,2-4,6,8,14H2,1H3
InChIKeyVUDFETVAMQWQJN-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.96
Rot. Bonds5

About 6-(5-ethoxy-3-pyridinyl)hex-5-yn-1-amine

6-(5-ethoxy-3-pyridinyl)hex-5-yn-1-amine (PubChem CID 106208818) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-(5-ethoxy-3-pyridinyl)hex-5-yn-1-amine.

Molecular Properties

Compound Name6-(5-ethoxy-3-pyridinyl)hex-5-yn-1-amine
PubChem CID106208818
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name6-(5-ethoxy-3-pyridinyl)hex-5-yn-1-amine
SMILESCCOc1cncc(C#CCCCCN)c1
InChIInChI=1S/C13H18N2O/c1-2-16-13-9-12(10-15-11-13)7-5-3-4-6-8-14/h9-11H,2-4,6,8,14H2,1H3
InChIKeyVUDFETVAMQWQJN-UHFFFAOYSA-N
XLogP1.96
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
5-(5-fluoro-3-pyridinyl)pent-4-yn-1-amine
CID 106220016
1-(5-ethoxy-3-pyridinyl)hex-1-yn-3-amine
CID 106225988
3-[[(2S)-azetidin-2-yl]methoxy]-5-(6-fluorohex-1-ynyl)pyridine
CID 59330540
3-(4-chlorobut-1-ynyl)-5-(2-fluoroethoxy)pyridine
CID 80694312
3-oct-1-ynyl-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 18458799
3-(6-fluorohex-1-ynyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 59330545
3-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]prop-2-yn-1-amine
CID 112591149
6-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol
CID 11323701
6-(2-ethoxyphenyl)hex-5-yn-1-amine
CID 106208701
3-[5-[(3,4-difluorophenyl)methoxy]-3-pyridinyl]prop-2-yn-1-amine
CID 82922857
4-(5-fluoro-3-pyridinyl)but-3-yn-1-amine
CID 116641360

Frequently Asked Questions

What is the IUPAC name of 6-(5-ethoxy-3-pyridinyl)hex-5-yn-1-amine?
The IUPAC name of 6-(5-ethoxy-3-pyridinyl)hex-5-yn-1-amine (CID 106208818) is 6-(5-ethoxy-3-pyridinyl)hex-5-yn-1-amine.
What is the SMILES notation for 6-(5-ethoxy-3-pyridinyl)hex-5-yn-1-amine?
The canonical SMILES for 6-(5-ethoxy-3-pyridinyl)hex-5-yn-1-amine is CCOc1cncc(C#CCCCCN)c1.
What is the InChIKey of 6-(5-ethoxy-3-pyridinyl)hex-5-yn-1-amine?
The InChIKey is VUDFETVAMQWQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-16-13-9-12(10-15-11-13)7-5-3-4-6-8-14/h9-11H,2-4,6,8,14H2,1H3.
What are the key properties of 6-(5-ethoxy-3-pyridinyl)hex-5-yn-1-amine?
6-(5-ethoxy-3-pyridinyl)hex-5-yn-1-amine has a molecular weight of 218.30 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-ethoxy-3-pyridinyl)hex-5-yn-1-amine is sourced from PubChem (CID 106208818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).