1-cyclohexyl-2-(4-phenylmethoxybutyl)guanidine;hydroiodide

C18H30IN3O — CID 111093612

IUPAC1-cyclohexyl-2-(4-phenylmethoxybutyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCCCOCc1ccccc1)NC1CCCCC1
InChIInChI=1S/C18H29N3O.HI/c19-18(21-17-11-5-2-6-12-17)20-13-7-8-14-22-15-16-9-3-1-4-10-16;/h1,3-4,9-10,17H,2,5-8,11-15H2,(H3,19,20,21);1H
InChIKeyADWZPVRWAXDVRQ-UHFFFAOYSA-N
MW431.36 g/mol
LogP3.84
Rot. Bonds8

About 1-cyclohexyl-2-(4-phenylmethoxybutyl)guanidine;hydroiodide

1-cyclohexyl-2-(4-phenylmethoxybutyl)guanidine;hydroiodide (PubChem CID 111093612) has the molecular formula C18H30IN3O and a molecular weight of 431.36 g/mol. Its IUPAC name is 1-cyclohexyl-2-(4-phenylmethoxybutyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-(4-phenylmethoxybutyl)guanidine;hydroiodide
PubChem CID111093612
Molecular FormulaC18H30IN3O
Molecular Weight431.36 g/mol
Exact Mass431.14
IUPAC Name1-cyclohexyl-2-(4-phenylmethoxybutyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCCCOCc1ccccc1)NC1CCCCC1
InChIInChI=1S/C18H29N3O.HI/c19-18(21-17-11-5-2-6-12-17)20-13-7-8-14-22-15-16-9-3-1-4-10-16;/h1,3-4,9-10,17H,2,5-8,11-15H2,(H3,19,20,21);1H
InChIKeyADWZPVRWAXDVRQ-UHFFFAOYSA-N
XLogP3.84
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.36
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide
CID 111099385
1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine
CID 111099386
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
1-tert-butyl-2-(4-phenylmethoxybutyl)guanidine
CID 111093625
2-[3-(2-phenylmethoxyethoxy)propyl]-1-propan-2-ylguanidine;hydroiodide
CID 110018543
1-cyclohexyl-2-[3-(4-fluorophenoxy)propyl]guanidine
CID 111088217
1-cyclopropyl-2-(2-phenoxyethyl)guanidine
CID 62361569
1-cyclopentyl-2-(3-ethoxypropyl)guanidine
CID 62364488
1-(2-phenylethyl)-2-[3-(2-phenylmethoxyethoxy)propyl]guanidine;hydroiodide
CID 110018539
2-[3-(2-chlorophenyl)propyl]-1-cyclohexylguanidine
CID 111806872
1-cyclohexyl-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111059033
1-cyclopropyl-2-(2-phenoxyethyl)guanidine;hydrobromide
CID 126812379

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(4-phenylmethoxybutyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-(4-phenylmethoxybutyl)guanidine;hydroiodide (CID 111093612) is 1-cyclohexyl-2-(4-phenylmethoxybutyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-(4-phenylmethoxybutyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-(4-phenylmethoxybutyl)guanidine;hydroiodide is I.N/C(=N\CCCCOCc1ccccc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(4-phenylmethoxybutyl)guanidine;hydroiodide?
The InChIKey is ADWZPVRWAXDVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O.HI/c19-18(21-17-11-5-2-6-12-17)20-13-7-8-14-22-15-16-9-3-1-4-10-16;/h1,3-4,9-10,17H,2,5-8,11-15H2,(H3,19,20,21);1H.
What are the key properties of 1-cyclohexyl-2-(4-phenylmethoxybutyl)guanidine;hydroiodide?
1-cyclohexyl-2-(4-phenylmethoxybutyl)guanidine;hydroiodide has a molecular weight of 431.36 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(4-phenylmethoxybutyl)guanidine;hydroiodide is sourced from PubChem (CID 111093612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).