2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine

C20H43N5O — CID 111935749

About 2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine

2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine (PubChem CID 111935749) has the molecular formula C20H43N5O and a molecular weight of 369.60 g/mol. Its IUPAC name is 2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine.

Molecular Properties

• Compound Name: 2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine
• PubChem CID: 111935749
• Molecular Formula: C20H43N5O
• Molecular Weight: 369.60 g/mol
• Exact Mass: 369.35
• IUPAC Name: 2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine
• SMILES: C/N=C(\NCCCCN(C)C(C)C)NCC(CC(C)C)N1CCOCC1
• InChI: InChI=1S/C20H43N5O/c1-17(2)15-19(25-11-13-26-14-12-25)16-23-20(21-5)22-9-7-8-10-24(6)18(3)4/h17-19H,7-16H2,1-6H3,(H2,21,22,23)
• InChIKey: FGDHSOWHRGAPLM-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 52.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.60
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine?

The IUPAC name of 2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine (CID 111935749) is 2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine.

What is the SMILES notation for 2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine?

The canonical SMILES for 2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine is C/N=C(\NCCCCN(C)C(C)C)NCC(CC(C)C)N1CCOCC1.

What is the InChIKey of 2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine?

The InChIKey is FGDHSOWHRGAPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N5O/c1-17(2)15-19(25-11-13-26-14-12-25)16-23-20(21-5)22-9-7-8-10-24(6)18(3)4/h17-19H,7-16H2,1-6H3,(H2,21,22,23).

What are the key properties of 2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine?

2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine has a molecular weight of 369.60 g/mol, XLogP of 2.02, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine is sourced from PubChem (CID 111935749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).