4-(2-methoxy-4-pyridinyl)-N-methylbut-3-yn-1-amine

C11H14N2O — CID 164653647

IUPAC4-(2-methoxy-4-pyridinyl)-N-methylbut-3-yn-1-amine
SMILESCNCCC#Cc1ccnc(OC)c1
InChIInChI=1S/C11H14N2O/c1-12-7-4-3-5-10-6-8-13-11(9-10)14-2/h6,8-9,12H,4,7H2,1-2H3
InChIKeyJHRYMLBECBGWDL-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.05
Rot. Bonds3

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

4-(2-methoxy-4-pyridinyl)-N-methylbut-3-yn-1-amine (PubChem CID 164653647) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 4-(2-methoxy-4-pyridinyl)-N-methylbut-3-yn-1-amine.

Molecular Properties

Compound Name4-(2-methoxy-4-pyridinyl)-N-methylbut-3-yn-1-amine
PubChem CID164653647
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name4-(2-methoxy-4-pyridinyl)-N-methylbut-3-yn-1-amine
SMILESCNCCC#Cc1ccnc(OC)c1
InChIInChI=1S/C11H14N2O/c1-12-7-4-3-5-10-6-8-13-11(9-10)14-2/h6,8-9,12H,4,7H2,1-2H3
InChIKeyJHRYMLBECBGWDL-UHFFFAOYSA-N
XLogP1.05
TPSA34.15 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 ≤ 51.05
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

4-[4-(methylamino)but-1-ynyl]pyridine-2-carboxylic acid
CID 170464379
4-(3H-benzimidazol-5-yl)-N-methylbut-3-yn-1-amine
CID 170464446
4-(6-bromo-3-pyridinyl)-N-methylbut-3-yn-1-amine
CID 170465339
4-(2-methoxyphenyl)-N-methylbut-3-yn-1-amine
CID 170463916
N-methyl-3-[4-(methylamino)but-1-ynyl]aniline
CID 170464030
methyl 2-chloro-5-[4-(methylamino)but-1-ynyl]benzoate
CID 170464829
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
4-(2,6-difluoro-4-pyridinyl)-N-methylbut-3-yn-1-amine
CID 170465388
4-(1-benzofuran-5-yl)-N-methylbut-3-yn-1-amine
CID 170464433
methyl 2-amino-5-[4-(methylamino)but-1-ynyl]benzoate
CID 170464952
N-methyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]but-3-yn-1-amine
CID 170465208
4-[4-(methylamino)but-1-ynyl]phenol
CID 170463741

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4-pyridinyl)-N-methylbut-3-yn-1-amine?
The IUPAC name of 4-(2-methoxy-4-pyridinyl)-N-methylbut-3-yn-1-amine (CID 164653647) is 4-(2-methoxy-4-pyridinyl)-N-methylbut-3-yn-1-amine.
What is the SMILES notation for 4-(2-methoxy-4-pyridinyl)-N-methylbut-3-yn-1-amine?
The canonical SMILES for 4-(2-methoxy-4-pyridinyl)-N-methylbut-3-yn-1-amine is CNCCC#Cc1ccnc(OC)c1.
What is the InChIKey of 4-(2-methoxy-4-pyridinyl)-N-methylbut-3-yn-1-amine?
The InChIKey is JHRYMLBECBGWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-12-7-4-3-5-10-6-8-13-11(9-10)14-2/h6,8-9,12H,4,7H2,1-2H3.
What are the key properties of 4-(2-methoxy-4-pyridinyl)-N-methylbut-3-yn-1-amine?
4-(2-methoxy-4-pyridinyl)-N-methylbut-3-yn-1-amine has a molecular weight of 190.25 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4-pyridinyl)-N-methylbut-3-yn-1-amine is sourced from PubChem (CID 164653647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).