(1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine

C₁₃H₁₈N₂ — CID 171205624

About (1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine

(1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine (PubChem CID 171205624) has the molecular formula C₁₃H₁₈N₂ and a molecular weight of 202.30 g/mol. Its IUPAC name is (1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine.

Molecular Properties

• Compound Name: (1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine
• PubChem CID: 171205624
• Molecular Formula: C₁₃H₁₈N₂
• Molecular Weight: 202.30 g/mol
• Exact Mass: 202.15
• IUPAC Name: (1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine
• SMILES: CCC(C)[C@@H](N)c1ccc2cc[nH]c2c1
• InChI: InChI=1S/C13H18N2/c1-3-9(2)13(14)11-5-4-10-6-7-15-12(10)8-11/h4-9,13,15H,3,14H2,1-2H3/t9?,13-/m1/s1
• InChIKey: HWNGFRHXZLFXRK-WCRCJTMVSA-N
• XLogP: 3.21
• TPSA: 41.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	202.30
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine?

The IUPAC name of (1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine (CID 171205624) is (1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine.

What is the SMILES notation for (1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine?

The canonical SMILES for (1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine is CCC(C)[C@@H](N)c1ccc2cc[nH]c2c1.

What is the InChIKey of (1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine?

The InChIKey is HWNGFRHXZLFXRK-WCRCJTMVSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-9(2)13(14)11-5-4-10-6-7-15-12(10)8-11/h4-9,13,15H,3,14H2,1-2H3/t9?,13-/m1/s1.

What are the key properties of (1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine?

(1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine has a molecular weight of 202.30 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 171205624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171205624 — identifiers, structure, computed properties (public domain)

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