1-(2-cycloheptyloxyethyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide

C19H39IN4O2 — CID 111576194

IUPAC1-(2-cycloheptyloxyethyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)N1CCOCC1)NCCOC1CCCCCC1.I
InChIInChI=1S/C19H38N4O2.HI/c1-3-20-19(22-16-17(2)23-11-14-24-15-12-23)21-10-13-25-18-8-6-4-5-7-9-18;/h17-18H,3-16H2,1-2H3,(H2,20,21,22);1H
InChIKeyVBUZTFKDWJNXRU-UHFFFAOYSA-N
MW482.45 g/mol
LogP2.62
Rot. Bonds8

About 1-(2-cycloheptyloxyethyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide

1-(2-cycloheptyloxyethyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide (PubChem CID 111576194) has the molecular formula C19H39IN4O2 and a molecular weight of 482.45 g/mol. Its IUPAC name is 1-(2-cycloheptyloxyethyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-cycloheptyloxyethyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
PubChem CID111576194
Molecular FormulaC19H39IN4O2
Molecular Weight482.45 g/mol
Exact Mass482.21
IUPAC Name1-(2-cycloheptyloxyethyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)N1CCOCC1)NCCOC1CCCCCC1.I
InChIInChI=1S/C19H38N4O2.HI/c1-3-20-19(22-16-17(2)23-11-14-24-15-12-23)21-10-13-25-18-8-6-4-5-7-9-18;/h17-18H,3-16H2,1-2H3,(H2,20,21,22);1H
InChIKeyVBUZTFKDWJNXRU-UHFFFAOYSA-N
XLogP2.62
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.45
LogP ≤ 52.62
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[2-(cyclopropylmethoxy)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111760388
1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110915060
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide
CID 111667553
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021484
1-(3,3-dimethylbutyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111021927
1-(3-cyclopentyloxypropyl)-3-ethyl-2-(2-methylpropyl)guanidine;hydroiodide
CID 111180802
1-cyclopropyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110987978
1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111021867
1-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111834598
1-tert-butyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110964681
1-ethyl-3-(3-methylbutan-2-yl)-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111000702
1-ethyl-3-(2-methoxyethyl)-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 110942554

Frequently Asked Questions

What is the IUPAC name of 1-(2-cycloheptyloxyethyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-(2-cycloheptyloxyethyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide (CID 111576194) is 1-(2-cycloheptyloxyethyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(2-cycloheptyloxyethyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-(2-cycloheptyloxyethyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide is CCN/C(=N\CC(C)N1CCOCC1)NCCOC1CCCCCC1.I.
What is the InChIKey of 1-(2-cycloheptyloxyethyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide?
The InChIKey is VBUZTFKDWJNXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O2.HI/c1-3-20-19(22-16-17(2)23-11-14-24-15-12-23)21-10-13-25-18-8-6-4-5-7-9-18;/h17-18H,3-16H2,1-2H3,(H2,20,21,22);1H.
What are the key properties of 1-(2-cycloheptyloxyethyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide?
1-(2-cycloheptyloxyethyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide has a molecular weight of 482.45 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cycloheptyloxyethyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111576194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).