4-[(1Z)-buta-1,3-dienyl]-1-methyl-3,6-dihydro-2H-pyridin-5-amine

C10H16N2 — CID 122462559

IUPAC4-[(1Z)-buta-1,3-dienyl]-1-methyl-3,6-dihydro-2H-pyridin-5-amine
SMILESC=C/C=C\C1=C(N)CN(C)CC1
InChIInChI=1S/C10H16N2/c1-3-4-5-9-6-7-12(2)8-10(9)11/h3-5H,1,6-8,11H2,2H3/b5-4-
InChIKeyGJGTYAIQASWUQI-PLNGDYQASA-N
MW164.25 g/mol
LogP1.28
Rot. Bonds2

About 4-[(1Z)-buta-1,3-dienyl]-1-methyl-3,6-dihydro-2H-pyridin-5-amine

4-[(1Z)-buta-1,3-dienyl]-1-methyl-3,6-dihydro-2H-pyridin-5-amine (PubChem CID 122462559) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-[(1Z)-buta-1,3-dienyl]-1-methyl-3,6-dihydro-2H-pyridin-5-amine.

Molecular Properties

Compound Name4-[(1Z)-buta-1,3-dienyl]-1-methyl-3,6-dihydro-2H-pyridin-5-amine
PubChem CID122462559
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-[(1Z)-buta-1,3-dienyl]-1-methyl-3,6-dihydro-2H-pyridin-5-amine
SMILESC=C/C=C\C1=C(N)CN(C)CC1
InChIInChI=1S/C10H16N2/c1-3-4-5-9-6-7-12(2)8-10(9)11/h3-5H,1,6-8,11H2,2H3/b5-4-
InChIKeyGJGTYAIQASWUQI-PLNGDYQASA-N
XLogP1.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(1Z)-buta-1,3-dienyl]-1-methyl-3,6-dihydro-2H-pyridin-5-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 4-[(1Z)-buta-1,3-dienyl]-1-methyl-3,6-dihydro-2H-pyridin-5-amine?
The IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-1-methyl-3,6-dihydro-2H-pyridin-5-amine (CID 122462559) is 4-[(1Z)-buta-1,3-dienyl]-1-methyl-3,6-dihydro-2H-pyridin-5-amine.
What is the SMILES notation for 4-[(1Z)-buta-1,3-dienyl]-1-methyl-3,6-dihydro-2H-pyridin-5-amine?
The canonical SMILES for 4-[(1Z)-buta-1,3-dienyl]-1-methyl-3,6-dihydro-2H-pyridin-5-amine is C=C/C=C\C1=C(N)CN(C)CC1.
What is the InChIKey of 4-[(1Z)-buta-1,3-dienyl]-1-methyl-3,6-dihydro-2H-pyridin-5-amine?
The InChIKey is GJGTYAIQASWUQI-PLNGDYQASA-N. The full InChI is InChI=1S/C10H16N2/c1-3-4-5-9-6-7-12(2)8-10(9)11/h3-5H,1,6-8,11H2,2H3/b5-4-.
What are the key properties of 4-[(1Z)-buta-1,3-dienyl]-1-methyl-3,6-dihydro-2H-pyridin-5-amine?
4-[(1Z)-buta-1,3-dienyl]-1-methyl-3,6-dihydro-2H-pyridin-5-amine has a molecular weight of 164.25 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z)-buta-1,3-dienyl]-1-methyl-3,6-dihydro-2H-pyridin-5-amine is sourced from PubChem (CID 122462559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).