N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine

C11H14N2O — CID 82893583

IUPACN-[(4-methoxy-6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine
SMILESC#CCNCc1cc(OC)cc(C)n1
InChIInChI=1S/C11H14N2O/c1-4-5-12-8-10-7-11(14-3)6-9(2)13-10/h1,6-7,12H,5,8H2,2-3H3
InChIKeyNLUOSOPGZLYLDE-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.12
Rot. Bonds4

About N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine

N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine (PubChem CID 82893583) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[(4-methoxy-6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine
PubChem CID82893583
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC NameN-[(4-methoxy-6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine
SMILESC#CCNCc1cc(OC)cc(C)n1
InChIInChI=1S/C11H14N2O/c1-4-5-12-8-10-7-11(14-3)6-9(2)13-10/h1,6-7,12H,5,8H2,2-3H3
InChIKeyNLUOSOPGZLYLDE-UHFFFAOYSA-N
XLogP1.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.12
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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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine?
The IUPAC name of N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine (CID 82893583) is N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine.
What is the SMILES notation for N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine?
The canonical SMILES for N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine is C#CCNCc1cc(OC)cc(C)n1.
What is the InChIKey of N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine?
The InChIKey is NLUOSOPGZLYLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-4-5-12-8-10-7-11(14-3)6-9(2)13-10/h1,6-7,12H,5,8H2,2-3H3.
What are the key properties of N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine?
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine has a molecular weight of 190.25 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine is sourced from PubChem (CID 82893583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).