1-(2-cyclohexylcyclopropyl)-2-(3-ethoxypropyl)guanidine;hydroiodide

C15H30IN3O — CID 111819995

IUPAC1-(2-cyclohexylcyclopropyl)-2-(3-ethoxypropyl)guanidine;hydroiodide
SMILESCCOCCC/N=C(\N)NC1CC1C1CCCCC1.I
InChIInChI=1S/C15H29N3O.HI/c1-2-19-10-6-9-17-15(16)18-14-11-13(14)12-7-4-3-5-8-12;/h12-14H,2-11H2,1H3,(H3,16,17,18);1H
InChIKeyARAZEJFWVAYLQF-UHFFFAOYSA-N
MW395.33 g/mol
LogP2.90
Rot. Bonds7

About 1-(2-cyclohexylcyclopropyl)-2-(3-ethoxypropyl)guanidine;hydroiodide

1-(2-cyclohexylcyclopropyl)-2-(3-ethoxypropyl)guanidine;hydroiodide (PubChem CID 111819995) has the molecular formula C15H30IN3O and a molecular weight of 395.33 g/mol. Its IUPAC name is 1-(2-cyclohexylcyclopropyl)-2-(3-ethoxypropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-cyclohexylcyclopropyl)-2-(3-ethoxypropyl)guanidine;hydroiodide
PubChem CID111819995
Molecular FormulaC15H30IN3O
Molecular Weight395.33 g/mol
Exact Mass395.14
IUPAC Name1-(2-cyclohexylcyclopropyl)-2-(3-ethoxypropyl)guanidine;hydroiodide
SMILESCCOCCC/N=C(\N)NC1CC1C1CCCCC1.I
InChIInChI=1S/C15H29N3O.HI/c1-2-19-10-6-9-17-15(16)18-14-11-13(14)12-7-4-3-5-8-12;/h12-14H,2-11H2,1H3,(H3,16,17,18);1H
InChIKeyARAZEJFWVAYLQF-UHFFFAOYSA-N
XLogP2.90
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 52.90
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-(2-cyclohexylcyclopropyl)-2-propylguanidine;hydroiodide
CID 111820037
1-cyclopentyl-2-(3-ethoxypropyl)guanidine
CID 62364488
1-cyclohexyl-2-(2-ethoxyethyl)guanidine
CID 62363423
1-(2-cycloheptyloxyethyl)-2-(3-ethoxypropyl)guanidine;hydroiodide
CID 111575872
2-(3-ethoxypropyl)-1-(2-phenylcyclopropyl)guanidine
CID 111046101
2-(3-ethoxypropyl)-1-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine;hydroiodide
CID 111818787
2-(3-butoxypropyl)-1-cyclopentylguanidine
CID 113229344
1-[(1R,2S)-2-cyclobutylcyclopropyl]-2-(cyclobutylmethyl)guanidine
CID 122126105
2-(cyclobutylmethyl)-1-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine;hydroiodide
CID 120666045
1-(2-cyclohexylcyclopropyl)-3-ethyl-2-propylguanidine;hydroiodide
CID 111773693
1-[(1R,2S)-2-cyclobutylcyclopropyl]-2-(oxolan-2-ylmethyl)guanidine
CID 122126043
2-(3-ethoxypropyl)-1-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 111056765

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylcyclopropyl)-2-(3-ethoxypropyl)guanidine;hydroiodide?
The IUPAC name of 1-(2-cyclohexylcyclopropyl)-2-(3-ethoxypropyl)guanidine;hydroiodide (CID 111819995) is 1-(2-cyclohexylcyclopropyl)-2-(3-ethoxypropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(2-cyclohexylcyclopropyl)-2-(3-ethoxypropyl)guanidine;hydroiodide?
The canonical SMILES for 1-(2-cyclohexylcyclopropyl)-2-(3-ethoxypropyl)guanidine;hydroiodide is CCOCCC/N=C(\N)NC1CC1C1CCCCC1.I.
What is the InChIKey of 1-(2-cyclohexylcyclopropyl)-2-(3-ethoxypropyl)guanidine;hydroiodide?
The InChIKey is ARAZEJFWVAYLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O.HI/c1-2-19-10-6-9-17-15(16)18-14-11-13(14)12-7-4-3-5-8-12;/h12-14H,2-11H2,1H3,(H3,16,17,18);1H.
What are the key properties of 1-(2-cyclohexylcyclopropyl)-2-(3-ethoxypropyl)guanidine;hydroiodide?
1-(2-cyclohexylcyclopropyl)-2-(3-ethoxypropyl)guanidine;hydroiodide has a molecular weight of 395.33 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylcyclopropyl)-2-(3-ethoxypropyl)guanidine;hydroiodide is sourced from PubChem (CID 111819995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).