1-(4-methyl-3-pyridinyl)pent-1-yn-3-amine

C11H14N2 — CID 106225856

IUPAC1-(4-methyl-3-pyridinyl)pent-1-yn-3-amine
SMILESCCC(N)C#Cc1cnccc1C
InChIInChI=1S/C11H14N2/c1-3-11(12)5-4-10-8-13-7-6-9(10)2/h6-8,11H,3,12H2,1-2H3
InChIKeyBUHZGFVLUBOUAG-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.48
Rot. Bonds1

About 1-(4-methyl-3-pyridinyl)pent-1-yn-3-amine

1-(4-methyl-3-pyridinyl)pent-1-yn-3-amine (PubChem CID 106225856) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1-(4-methyl-3-pyridinyl)pent-1-yn-3-amine.

Molecular Properties

Compound Name1-(4-methyl-3-pyridinyl)pent-1-yn-3-amine
PubChem CID106225856
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name1-(4-methyl-3-pyridinyl)pent-1-yn-3-amine
SMILESCCC(N)C#Cc1cnccc1C
InChIInChI=1S/C11H14N2/c1-3-11(12)5-4-10-8-13-7-6-9(10)2/h6-8,11H,3,12H2,1-2H3
InChIKeyBUHZGFVLUBOUAG-UHFFFAOYSA-N
XLogP1.48
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-methyl-3-pyridinyl)pent-1-yn-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-pyridinyl)pent-1-yn-3-amine?
The IUPAC name of 1-(4-methyl-3-pyridinyl)pent-1-yn-3-amine (CID 106225856) is 1-(4-methyl-3-pyridinyl)pent-1-yn-3-amine.
What is the SMILES notation for 1-(4-methyl-3-pyridinyl)pent-1-yn-3-amine?
The canonical SMILES for 1-(4-methyl-3-pyridinyl)pent-1-yn-3-amine is CCC(N)C#Cc1cnccc1C.
What is the InChIKey of 1-(4-methyl-3-pyridinyl)pent-1-yn-3-amine?
The InChIKey is BUHZGFVLUBOUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-3-11(12)5-4-10-8-13-7-6-9(10)2/h6-8,11H,3,12H2,1-2H3.
What are the key properties of 1-(4-methyl-3-pyridinyl)pent-1-yn-3-amine?
1-(4-methyl-3-pyridinyl)pent-1-yn-3-amine has a molecular weight of 174.25 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-pyridinyl)pent-1-yn-3-amine is sourced from PubChem (CID 106225856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).