N-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine

C₁₆H₂₁N₃ — CID 134712707

About N-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine

N-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine (PubChem CID 134712707) has the molecular formula C₁₆H₂₁N₃ and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine.

Molecular Properties

• Compound Name: N-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine
• PubChem CID: 134712707
• Molecular Formula: C₁₆H₂₁N₃
• Molecular Weight: 255.37 g/mol
• Exact Mass: 255.17
• IUPAC Name: N-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine
• SMILES: CN1CCC(C)(CNc2ccnc3ccccc23)C1
• InChI: InChI=1S/C16H21N3/c1-16(8-10-19(2)12-16)11-18-15-7-9-17-14-6-4-3-5-13(14)15/h3-7,9H,8,10-12H2,1-2H3,(H,17,18)
• InChIKey: GWJUALOTJABSKQ-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 28.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	255.37
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine?

The IUPAC name of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine (CID 134712707) is N-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine.

What is the SMILES notation for N-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine?

The canonical SMILES for N-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine is CN1CCC(C)(CNc2ccnc3ccccc23)C1.

What is the InChIKey of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine?

The InChIKey is GWJUALOTJABSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-16(8-10-19(2)12-16)11-18-15-7-9-17-14-6-4-3-5-13(14)15/h3-7,9H,8,10-12H2,1-2H3,(H,17,18).

What are the key properties of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine?

N-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine has a molecular weight of 255.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1,3-dimethylpyrrolidin-3-yl)methyl]quinolin-4-amine is sourced from PubChem (CID 134712707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134712707 — identifiers, structure, computed properties (public domain)

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