5-(4-methoxy-3-pyridinyl)pent-4-yn-1-amine

C11H14N2O — CID 130565673

IUPAC5-(4-methoxy-3-pyridinyl)pent-4-yn-1-amine
SMILESCOc1ccncc1C#CCCCN
InChIInChI=1S/C11H14N2O/c1-14-11-6-8-13-9-10(11)5-3-2-4-7-12/h6,8-9H,2,4,7,12H2,1H3
InChIKeyCDMFFHSNWSVNJS-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.18
Rot. Bonds3

About 5-(4-methoxy-3-pyridinyl)pent-4-yn-1-amine

5-(4-methoxy-3-pyridinyl)pent-4-yn-1-amine (PubChem CID 130565673) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-(4-methoxy-3-pyridinyl)pent-4-yn-1-amine.

Molecular Properties

Compound Name5-(4-methoxy-3-pyridinyl)pent-4-yn-1-amine
PubChem CID130565673
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name5-(4-methoxy-3-pyridinyl)pent-4-yn-1-amine
SMILESCOc1ccncc1C#CCCCN
InChIInChI=1S/C11H14N2O/c1-14-11-6-8-13-9-10(11)5-3-2-4-7-12/h6,8-9H,2,4,7,12H2,1H3
InChIKeyCDMFFHSNWSVNJS-UHFFFAOYSA-N
XLogP1.18
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.18
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-but-1-ynyl-4-methoxypyridine;ethane
CID 177208734
3-(4-methoxy-3-pyridinyl)prop-2-ynyl methanesulfonate
CID 177208422
5-(2,4,6-trimethoxyphenyl)pent-4-yn-1-amine
CID 106220248
6-(2,6-dimethoxyphenyl)hex-5-yn-1-amine
CID 106208844
4-(5-fluoro-2-methoxyphenyl)but-3-yn-1-amine
CID 116641453
5-quinolin-8-ylpent-4-yn-1-amine
CID 106220165
5-(5-aminopent-1-ynyl)-2-N-(2-methoxy-4-pyridinyl)-4-N-methylpyrimidine-2,4-diamine
CID 90053452
methyl 3-(4-chlorobut-1-ynyl)pyridine-4-carboxylate
CID 170468167
4-methoxypyridin-3-amine;dihydrochloride
CID 163333119
6-(2-ethoxyphenyl)hex-5-yn-1-amine
CID 106208701
3-(5-chloropent-1-ynyl)-4-(trifluoromethyl)pyridine
CID 102708602
4-methoxypyridine-3-thiolate
CID 156636966

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-pyridinyl)pent-4-yn-1-amine?
The IUPAC name of 5-(4-methoxy-3-pyridinyl)pent-4-yn-1-amine (CID 130565673) is 5-(4-methoxy-3-pyridinyl)pent-4-yn-1-amine.
What is the SMILES notation for 5-(4-methoxy-3-pyridinyl)pent-4-yn-1-amine?
The canonical SMILES for 5-(4-methoxy-3-pyridinyl)pent-4-yn-1-amine is COc1ccncc1C#CCCCN.
What is the InChIKey of 5-(4-methoxy-3-pyridinyl)pent-4-yn-1-amine?
The InChIKey is CDMFFHSNWSVNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-14-11-6-8-13-9-10(11)5-3-2-4-7-12/h6,8-9H,2,4,7,12H2,1H3.
What are the key properties of 5-(4-methoxy-3-pyridinyl)pent-4-yn-1-amine?
5-(4-methoxy-3-pyridinyl)pent-4-yn-1-amine has a molecular weight of 190.25 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-pyridinyl)pent-4-yn-1-amine is sourced from PubChem (CID 130565673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).