3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]butan-1-one;dihydrochloride

C14H26Cl2N4O — CID 120504283

About 3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]butan-1-one;dihydrochloride

3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]butan-1-one;dihydrochloride (PubChem CID 120504283) has the molecular formula C14H26Cl2N4O and a molecular weight of 337.30 g/mol. Its IUPAC name is 3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]butan-1-one;dihydrochloride.

Molecular Properties

• Compound Name: 3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]butan-1-one;dihydrochloride
• PubChem CID: 120504283
• Molecular Formula: C14H26Cl2N4O
• Molecular Weight: 337.30 g/mol
• Exact Mass: 336.15
• IUPAC Name: 3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]butan-1-one;dihydrochloride
• SMILES: Cc1nccn1CC1CCCN1C(=O)C(C)C(C)N.Cl.Cl
• InChI: InChI=1S/C14H24N4O.2ClH/c1-10(11(2)15)14(19)18-7-4-5-13(18)9-17-8-6-16-12(17)3;;/h6,8,10-11,13H,4-5,7,9,15H2,1-3H3;2*1H
• InChIKey: YITSMEJGROLYJV-UHFFFAOYSA-N
• XLogP: 2.01
• TPSA: 64.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.30
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]butan-1-one;dihydrochloride?

The IUPAC name of 3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]butan-1-one;dihydrochloride (CID 120504283) is 3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]butan-1-one;dihydrochloride.

What is the SMILES notation for 3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]butan-1-one;dihydrochloride?

The canonical SMILES for 3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]butan-1-one;dihydrochloride is Cc1nccn1CC1CCCN1C(=O)C(C)C(C)N.Cl.Cl.

What is the InChIKey of 3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]butan-1-one;dihydrochloride?

The InChIKey is YITSMEJGROLYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O.2ClH/c1-10(11(2)15)14(19)18-7-4-5-13(18)9-17-8-6-16-12(17)3;;/h6,8,10-11,13H,4-5,7,9,15H2,1-3H3;2*1H.

What are the key properties of 3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]butan-1-one;dihydrochloride?

3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]butan-1-one;dihydrochloride has a molecular weight of 337.30 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]butan-1-one;dihydrochloride is sourced from PubChem (CID 120504283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).