1-[[[ethylamino-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide

C22H45IN6O — CID 111570906

About 1-[[[ethylamino-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide

1-[[[ethylamino-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide (PubChem CID 111570906) has the molecular formula C22H45IN6O and a molecular weight of 536.55 g/mol. Its IUPAC name is 1-[[[ethylamino-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide.

Molecular Properties

• Compound Name: 1-[[[ethylamino-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
• PubChem CID: 111570906
• Molecular Formula: C22H45IN6O
• Molecular Weight: 536.55 g/mol
• Exact Mass: 536.27
• IUPAC Name: 1-[[[ethylamino-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
• SMILES: CCN/C(=N\CC1(C(=O)N(C)C)CCCC1)NCC(C(C)C)N1CCN(C)CC1.I
• InChI: InChI=1S/C22H44N6O.HI/c1-7-23-21(25-17-22(10-8-9-11-22)20(29)26(4)5)24-16-19(18(2)3)28-14-12-27(6)13-15-28;/h18-19H,7-17H2,1-6H3,(H2,23,24,25);1H
• InChIKey: LVBMEJBGZIREBT-UHFFFAOYSA-N
• XLogP: 2.08
• TPSA: 63.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.55
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[[[ethylamino-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide?

The IUPAC name of 1-[[[ethylamino-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide (CID 111570906) is 1-[[[ethylamino-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide.

What is the SMILES notation for 1-[[[ethylamino-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide?

The canonical SMILES for 1-[[[ethylamino-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide is CCN/C(=N\CC1(C(=O)N(C)C)CCCC1)NCC(C(C)C)N1CCN(C)CC1.I.

What is the InChIKey of 1-[[[ethylamino-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide?

The InChIKey is LVBMEJBGZIREBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N6O.HI/c1-7-23-21(25-17-22(10-8-9-11-22)20(29)26(4)5)24-16-19(18(2)3)28-14-12-27(6)13-15-28;/h18-19H,7-17H2,1-6H3,(H2,23,24,25);1H.

What are the key properties of 1-[[[ethylamino-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide?

1-[[[ethylamino-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide has a molecular weight of 536.55 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[[ethylamino-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide is sourced from PubChem (CID 111570906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).