(1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride

C₁₀H₁₇ClN₂ — CID 171200287

About (1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride

(1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride (PubChem CID 171200287) has the molecular formula C₁₀H₁₇ClN₂ and a molecular weight of 200.71 g/mol. Its IUPAC name is (1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride.

Molecular Properties

• Compound Name: (1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride
• PubChem CID: 171200287
• Molecular Formula: C₁₀H₁₇ClN₂
• Molecular Weight: 200.71 g/mol
• Exact Mass: 200.11
• IUPAC Name: (1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride
• SMILES: CCC(C)[C@@H](N)c1ccncc1.Cl
• InChI: InChI=1S/C10H16N2.ClH/c1-3-8(2)10(11)9-4-6-12-7-5-9;/h4-8,10H,3,11H2,1-2H3;1H/t8?,10-;/m1./s1
• InChIKey: GKVHHVGMJHRXOH-JDXSOMNQSA-N
• XLogP: 2.55
• TPSA: 38.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	200.71
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride?

The IUPAC name of (1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride (CID 171200287) is (1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride.

What is the SMILES notation for (1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride?

The canonical SMILES for (1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride is CCC(C)[C@@H](N)c1ccncc1.Cl.

What is the InChIKey of (1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride?

The InChIKey is GKVHHVGMJHRXOH-JDXSOMNQSA-N. The full InChI is InChI=1S/C10H16N2.ClH/c1-3-8(2)10(11)9-4-6-12-7-5-9;/h4-8,10H,3,11H2,1-2H3;1H/t8?,10-;/m1./s1.

What are the key properties of (1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride?

(1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride has a molecular weight of 200.71 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride is sourced from PubChem (CID 171200287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171200287 — identifiers, structure, computed properties (public domain)

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