1-(5-methoxypentyl)-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine

C18H38N4O2 — CID 111935379

IUPAC1-(5-methoxypentyl)-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
SMILESC/N=C(\NCCCCCOC)NCC(CC(C)C)N1CCOCC1
InChIInChI=1S/C18H38N4O2/c1-16(2)14-17(22-9-12-24-13-10-22)15-21-18(19-3)20-8-6-5-7-11-23-4/h16-17H,5-15H2,1-4H3,(H2,19,20,21)
InChIKeyBKPJKBWXUVVFAV-UHFFFAOYSA-N
MW342.53 g/mol
LogP1.72
Rot. Bonds11

About 1-(5-methoxypentyl)-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine

1-(5-methoxypentyl)-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine (PubChem CID 111935379) has the molecular formula C18H38N4O2 and a molecular weight of 342.53 g/mol. Its IUPAC name is 1-(5-methoxypentyl)-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine.

Molecular Properties

Compound Name1-(5-methoxypentyl)-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
PubChem CID111935379
Molecular FormulaC18H38N4O2
Molecular Weight342.53 g/mol
Exact Mass342.30
IUPAC Name1-(5-methoxypentyl)-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
SMILESC/N=C(\NCCCCCOC)NCC(CC(C)C)N1CCOCC1
InChIInChI=1S/C18H38N4O2/c1-16(2)14-17(22-9-12-24-13-10-22)15-21-18(19-3)20-8-6-5-7-11-23-4/h16-17H,5-15H2,1-4H3,(H2,19,20,21)
InChIKeyBKPJKBWXUVVFAV-UHFFFAOYSA-N
XLogP1.72
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(3-propan-2-yloxypropyl)guanidine
CID 111246771
2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 111935749
N-(2-methoxyethyl)-2-[[N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111935274
2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111642768
2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-methylsulfanylethyl)guanidine
CID 111345121
2-methyl-N-[2-[[N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]ethyl]propanamide
CID 111928490
methyl 2-methyl-3-[[N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]propanoate;hydroiodide
CID 111936206
1-[2-(azepan-1-yl)ethyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111936106
2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine
CID 111042287
1-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111935361
N-cyclopropyl-4-[[N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]butanamide
CID 111935471
2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111006584

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxypentyl)-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
The IUPAC name of 1-(5-methoxypentyl)-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine (CID 111935379) is 1-(5-methoxypentyl)-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine.
What is the SMILES notation for 1-(5-methoxypentyl)-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
The canonical SMILES for 1-(5-methoxypentyl)-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine is C/N=C(\NCCCCCOC)NCC(CC(C)C)N1CCOCC1.
What is the InChIKey of 1-(5-methoxypentyl)-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
The InChIKey is BKPJKBWXUVVFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N4O2/c1-16(2)14-17(22-9-12-24-13-10-22)15-21-18(19-3)20-8-6-5-7-11-23-4/h16-17H,5-15H2,1-4H3,(H2,19,20,21).
What are the key properties of 1-(5-methoxypentyl)-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
1-(5-methoxypentyl)-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine has a molecular weight of 342.53 g/mol, XLogP of 1.72, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxypentyl)-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine is sourced from PubChem (CID 111935379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).