[2,3-dimethyl-5-(3-methylbutoxymethyl)-4-pyridinyl]methanamine

C₁₄H₂₄N₂O — CID 118399957

About [2,3-dimethyl-5-(3-methylbutoxymethyl)-4-pyridinyl]methanamine

[2,3-dimethyl-5-(3-methylbutoxymethyl)-4-pyridinyl]methanamine (PubChem CID 118399957) has the molecular formula C₁₄H₂₄N₂O and a molecular weight of 236.36 g/mol. Its IUPAC name is [2,3-dimethyl-5-(3-methylbutoxymethyl)-4-pyridinyl]methanamine.

Molecular Properties

• Compound Name: [2,3-dimethyl-5-(3-methylbutoxymethyl)-4-pyridinyl]methanamine
• PubChem CID: 118399957
• Molecular Formula: C₁₄H₂₄N₂O
• Molecular Weight: 236.36 g/mol
• Exact Mass: 236.19
• IUPAC Name: [2,3-dimethyl-5-(3-methylbutoxymethyl)-4-pyridinyl]methanamine
• SMILES: Cc1ncc(COCCC(C)C)c(CN)c1C
• InChI: InChI=1S/C14H24N2O/c1-10(2)5-6-17-9-13-8-16-12(4)11(3)14(13)7-15/h8,10H,5-7,9,15H2,1-4H3
• InChIKey: BACRTQLUQCIDMS-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 48.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	236.36
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2,3-dimethyl-5-(3-methylbutoxymethyl)-4-pyridinyl]methanamine?

The IUPAC name of [2,3-dimethyl-5-(3-methylbutoxymethyl)-4-pyridinyl]methanamine (CID 118399957) is [2,3-dimethyl-5-(3-methylbutoxymethyl)-4-pyridinyl]methanamine.

What is the SMILES notation for [2,3-dimethyl-5-(3-methylbutoxymethyl)-4-pyridinyl]methanamine?

The canonical SMILES for [2,3-dimethyl-5-(3-methylbutoxymethyl)-4-pyridinyl]methanamine is Cc1ncc(COCCC(C)C)c(CN)c1C.

What is the InChIKey of [2,3-dimethyl-5-(3-methylbutoxymethyl)-4-pyridinyl]methanamine?

The InChIKey is BACRTQLUQCIDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(2)5-6-17-9-13-8-16-12(4)11(3)14(13)7-15/h8,10H,5-7,9,15H2,1-4H3.

What are the key properties of [2,3-dimethyl-5-(3-methylbutoxymethyl)-4-pyridinyl]methanamine?

[2,3-dimethyl-5-(3-methylbutoxymethyl)-4-pyridinyl]methanamine has a molecular weight of 236.36 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [2,3-dimethyl-5-(3-methylbutoxymethyl)-4-pyridinyl]methanamine is sourced from PubChem (CID 118399957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118399957 — identifiers, structure, computed properties (public domain)

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