1-(2-methoxy-3-pyridinyl)hex-4-yn-1-amine

C12H16N2O — CID 105181377

IUPAC1-(2-methoxy-3-pyridinyl)hex-4-yn-1-amine
SMILESCC#CCCC(N)c1cccnc1OC
InChIInChI=1S/C12H16N2O/c1-3-4-5-8-11(13)10-7-6-9-14-12(10)15-2/h6-7,9,11H,5,8,13H2,1-2H3
InChIKeyOWTIWJSYYCRRDG-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.89
Rot. Bonds4

About 1-(2-methoxy-3-pyridinyl)hex-4-yn-1-amine

1-(2-methoxy-3-pyridinyl)hex-4-yn-1-amine (PubChem CID 105181377) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(2-methoxy-3-pyridinyl)hex-4-yn-1-amine.

Molecular Properties

Compound Name1-(2-methoxy-3-pyridinyl)hex-4-yn-1-amine
PubChem CID105181377
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(2-methoxy-3-pyridinyl)hex-4-yn-1-amine
SMILESCC#CCCC(N)c1cccnc1OC
InChIInChI=1S/C12H16N2O/c1-3-4-5-8-11(13)10-7-6-9-14-12(10)15-2/h6-7,9,11H,5,8,13H2,1-2H3
InChIKeyOWTIWJSYYCRRDG-UHFFFAOYSA-N
XLogP1.89
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxy-3-pyridinyl)octan-1-amine
CID 105124612
2-cyclopropyl-1-(2-methoxy-3-pyridinyl)ethanamine
CID 55297501
1-(2-methylphenyl)hex-4-yn-1-amine
CID 104804509
2-(4-ethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105101378
(1S)-1-(2-methoxy-3-pyridinyl)prop-2-en-1-amine
CID 131218927
1-(2-ethoxy-3-pyridinyl)butan-1-amine
CID 55296374
(2-methoxy-3-pyridinyl)-(2-methylphenyl)methanamine
CID 105094474
1-(2-methyl-3-pyridinyl)hex-4-ynylhydrazine
CID 105334994
2-(2-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105090092
1-(2-methoxy-3-pyridinyl)hex-5-yn-1-ol
CID 105124708
2-(5-ethylthiophen-2-yl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105135936
2-(2,3-difluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105137687

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-pyridinyl)hex-4-yn-1-amine?
The IUPAC name of 1-(2-methoxy-3-pyridinyl)hex-4-yn-1-amine (CID 105181377) is 1-(2-methoxy-3-pyridinyl)hex-4-yn-1-amine.
What is the SMILES notation for 1-(2-methoxy-3-pyridinyl)hex-4-yn-1-amine?
The canonical SMILES for 1-(2-methoxy-3-pyridinyl)hex-4-yn-1-amine is CC#CCCC(N)c1cccnc1OC.
What is the InChIKey of 1-(2-methoxy-3-pyridinyl)hex-4-yn-1-amine?
The InChIKey is OWTIWJSYYCRRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-4-5-8-11(13)10-7-6-9-14-12(10)15-2/h6-7,9,11H,5,8,13H2,1-2H3.
What are the key properties of 1-(2-methoxy-3-pyridinyl)hex-4-yn-1-amine?
1-(2-methoxy-3-pyridinyl)hex-4-yn-1-amine has a molecular weight of 204.27 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-pyridinyl)hex-4-yn-1-amine is sourced from PubChem (CID 105181377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).