1-(1-amino-4-methylpentan-2-yl)-N,N,4-trimethylpyrrolidin-3-amine

C₁₃H₂₉N₃ — CID 81463800

About 1-(1-amino-4-methylpentan-2-yl)-N,N,4-trimethylpyrrolidin-3-amine

1-(1-amino-4-methylpentan-2-yl)-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81463800) has the molecular formula C₁₃H₂₉N₃ and a molecular weight of 227.40 g/mol. Its IUPAC name is 1-(1-amino-4-methylpentan-2-yl)-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

• Compound Name: 1-(1-amino-4-methylpentan-2-yl)-N,N,4-trimethylpyrrolidin-3-amine
• PubChem CID: 81463800
• Molecular Formula: C₁₃H₂₉N₃
• Molecular Weight: 227.40 g/mol
• Exact Mass: 227.24
• IUPAC Name: 1-(1-amino-4-methylpentan-2-yl)-N,N,4-trimethylpyrrolidin-3-amine
• SMILES: CC(C)CC(CN)N1CC(C)C(N(C)C)C1
• InChI: InChI=1S/C13H29N3/c1-10(2)6-12(7-14)16-8-11(3)13(9-16)15(4)5/h10-13H,6-9,14H2,1-5H3
• InChIKey: PYHWQMSLUFLNHF-UHFFFAOYSA-N
• XLogP: 1.24
• TPSA: 32.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	227.40
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-4-methylpentan-2-yl)-N,N,4-trimethylpyrrolidin-3-amine?

The IUPAC name of 1-(1-amino-4-methylpentan-2-yl)-N,N,4-trimethylpyrrolidin-3-amine (CID 81463800) is 1-(1-amino-4-methylpentan-2-yl)-N,N,4-trimethylpyrrolidin-3-amine.

What is the SMILES notation for 1-(1-amino-4-methylpentan-2-yl)-N,N,4-trimethylpyrrolidin-3-amine?

The canonical SMILES for 1-(1-amino-4-methylpentan-2-yl)-N,N,4-trimethylpyrrolidin-3-amine is CC(C)CC(CN)N1CC(C)C(N(C)C)C1.

What is the InChIKey of 1-(1-amino-4-methylpentan-2-yl)-N,N,4-trimethylpyrrolidin-3-amine?

The InChIKey is PYHWQMSLUFLNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-10(2)6-12(7-14)16-8-11(3)13(9-16)15(4)5/h10-13H,6-9,14H2,1-5H3.

What are the key properties of 1-(1-amino-4-methylpentan-2-yl)-N,N,4-trimethylpyrrolidin-3-amine?

1-(1-amino-4-methylpentan-2-yl)-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 227.40 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-amino-4-methylpentan-2-yl)-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81463800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 81463800 — identifiers, structure, computed properties (public domain)

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