1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine;hydroiodide

C17H39IN4O — CID 110998628

IUPAC1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine;hydroiodide
SMILESCCN(CC)CCCC(C)N/C(=N/C)NCCOCC(C)C.I
InChIInChI=1S/C17H38N4O.HI/c1-7-21(8-2)12-9-10-16(5)20-17(18-6)19-11-13-22-14-15(3)4;/h15-16H,7-14H2,1-6H3,(H2,18,19,20);1H
InChIKeyVTFYFTQSXAVIFV-UHFFFAOYSA-N
MW442.43 g/mol
LogP2.95
Rot. Bonds12

About 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine;hydroiodide

1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine;hydroiodide (PubChem CID 110998628) has the molecular formula C17H39IN4O and a molecular weight of 442.43 g/mol. Its IUPAC name is 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine;hydroiodide
PubChem CID110998628
Molecular FormulaC17H39IN4O
Molecular Weight442.43 g/mol
Exact Mass442.22
IUPAC Name1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine;hydroiodide
SMILESCCN(CC)CCCC(C)N/C(=N/C)NCCOCC(C)C.I
InChIInChI=1S/C17H38N4O.HI/c1-7-21(8-2)12-9-10-16(5)20-17(18-6)19-11-13-22-14-15(3)4;/h15-16H,7-14H2,1-6H3,(H2,18,19,20);1H
InChIKeyVTFYFTQSXAVIFV-UHFFFAOYSA-N
XLogP2.95
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(2-phenylmethoxyethyl)guanidine;hydroiodide
CID 111964038
1-[5-(diethylamino)pentan-2-yl]-3-(5-methoxypentyl)-2-methylguanidine;hydroiodide
CID 110998382
1-[5-(diethylamino)pentan-2-yl]-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 110998322
1-[5-(diethylamino)pentan-2-yl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine
CID 110998971
1-[5-(diethylamino)pentan-2-yl]-3-[7-(dimethylamino)heptyl]-2-methylguanidine;hydroiodide
CID 110998176
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 110998580
1-[2-(tert-butylamino)ethyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine
CID 111759751
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(4-methylphenoxy)ethyl]guanidine
CID 110998723
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[4-(1,2,4-triazol-4-yl)butyl]guanidine;hydroiodide
CID 111509822
2-[[N-[5-(diethylamino)pentan-2-yl]-N'-methylcarbamimidoyl]amino]-N-(2-methoxyethyl)acetamide
CID 110999827
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(3-phenoxypropyl)guanidine
CID 110999013
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylphenoxy)ethyl]guanidine
CID 111000113

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine;hydroiodide (CID 110998628) is 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine;hydroiodide is CCN(CC)CCCC(C)N/C(=N/C)NCCOCC(C)C.I.
What is the InChIKey of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine;hydroiodide?
The InChIKey is VTFYFTQSXAVIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N4O.HI/c1-7-21(8-2)12-9-10-16(5)20-17(18-6)19-11-13-22-14-15(3)4;/h15-16H,7-14H2,1-6H3,(H2,18,19,20);1H.
What are the key properties of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine;hydroiodide?
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine;hydroiodide has a molecular weight of 442.43 g/mol, XLogP of 2.95, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 110998628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).