1-(4-cyclohexylbutan-2-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide

C20H42IN3O2 — CID 109482847

IUPAC1-(4-cyclohexylbutan-2-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCCCOCCOC)NC(C)CCC1CCCCC1.I
InChIInChI=1S/C20H41N3O2.HI/c1-4-21-20(22-14-8-9-15-25-17-16-24-3)23-18(2)12-13-19-10-6-5-7-11-19;/h18-19H,4-17H2,1-3H3,(H2,21,22,23);1H
InChIKeyXHVGGUGRFGLYLL-UHFFFAOYSA-N
MW483.48 g/mol
LogP4.35
Rot. Bonds13

About 1-(4-cyclohexylbutan-2-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide

1-(4-cyclohexylbutan-2-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide (PubChem CID 109482847) has the molecular formula C20H42IN3O2 and a molecular weight of 483.48 g/mol. Its IUPAC name is 1-(4-cyclohexylbutan-2-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(4-cyclohexylbutan-2-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide
PubChem CID109482847
Molecular FormulaC20H42IN3O2
Molecular Weight483.48 g/mol
Exact Mass483.23
IUPAC Name1-(4-cyclohexylbutan-2-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCCCOCCOC)NC(C)CCC1CCCCC1.I
InChIInChI=1S/C20H41N3O2.HI/c1-4-21-20(22-14-8-9-15-25-17-16-24-3)23-18(2)12-13-19-10-6-5-7-11-19;/h18-19H,4-17H2,1-3H3,(H2,21,22,23);1H
InChIKeyXHVGGUGRFGLYLL-UHFFFAOYSA-N
XLogP4.35
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.48
LogP ≤ 54.35
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

2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
CID 111609003
2-(3-cyclopentylpropyl)-1-ethyl-3-[4-(2-methoxyethoxy)butyl]guanidine
CID 111946727
1-ethyl-3-heptan-2-yl-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111195091
1-ethyl-3-heptan-2-yl-2-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
CID 111195085
1-(4-cyclohexylbutan-2-yl)-3-ethyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 109482386
1-ethyl-2-(5-methoxypentyl)-3-(5-methylhexan-2-yl)guanidine
CID 111204310
2-[[(4-cyclohexylbutan-2-ylamino)-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 109482625
1,3-diethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 110926989
1-butan-2-yl-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide
CID 110944617
1-cyclohexyl-3-ethyl-2-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
CID 110957347
1-ethyl-3-(1-methoxypropan-2-yl)-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111235880
2-(3-butoxypropyl)-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111235657

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylbutan-2-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide?
The IUPAC name of 1-(4-cyclohexylbutan-2-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide (CID 109482847) is 1-(4-cyclohexylbutan-2-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(4-cyclohexylbutan-2-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide?
The canonical SMILES for 1-(4-cyclohexylbutan-2-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide is CCN/C(=N\CCCCOCCOC)NC(C)CCC1CCCCC1.I.
What is the InChIKey of 1-(4-cyclohexylbutan-2-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide?
The InChIKey is XHVGGUGRFGLYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3O2.HI/c1-4-21-20(22-14-8-9-15-25-17-16-24-3)23-18(2)12-13-19-10-6-5-7-11-19;/h18-19H,4-17H2,1-3H3,(H2,21,22,23);1H.
What are the key properties of 1-(4-cyclohexylbutan-2-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide?
1-(4-cyclohexylbutan-2-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide has a molecular weight of 483.48 g/mol, XLogP of 4.35, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylbutan-2-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide is sourced from PubChem (CID 109482847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).