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

C10H16N2 — CID 145152601

IUPAC5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyridin-1-amine
SMILESC=C/C=C\C1=C(C)N(N)CCC1
InChIInChI=1S/C10H16N2/c1-3-4-6-10-7-5-8-12(11)9(10)2/h3-4,6H,1,5,7-8,11H2,2H3/b6-4-
InChIKeyMVMTUROCWUVSPZ-XQRVVYSFSA-N
MW164.25 g/mol
LogP1.97
Rot. Bonds2

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

5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyridin-1-amine (PubChem CID 145152601) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyridin-1-amine.

Molecular Properties

Compound Name5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyridin-1-amine
PubChem CID145152601
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyridin-1-amine
SMILESC=C/C=C\C1=C(C)N(N)CCC1
InChIInChI=1S/C10H16N2/c1-3-4-6-10-7-5-8-12(11)9(10)2/h3-4,6H,1,5,7-8,11H2,2H3/b6-4-
InChIKeyMVMTUROCWUVSPZ-XQRVVYSFSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyridin-1-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 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyridin-1-amine?
The IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyridin-1-amine (CID 145152601) is 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyridin-1-amine.
What is the SMILES notation for 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyridin-1-amine?
The canonical SMILES for 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyridin-1-amine is C=C/C=C\C1=C(C)N(N)CCC1.
What is the InChIKey of 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyridin-1-amine?
The InChIKey is MVMTUROCWUVSPZ-XQRVVYSFSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-4-6-10-7-5-8-12(11)9(10)2/h3-4,6H,1,5,7-8,11H2,2H3/b6-4-.
What are the key properties of 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyridin-1-amine?
5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyridin-1-amine has a molecular weight of 164.25 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyridin-1-amine is sourced from PubChem (CID 145152601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).