1-ethyl-2-(2-ethylbutyl)-3-(3-ethylsulfinylcyclohexyl)guanidine

C17H35N3OS — CID 109438567

IUPAC1-ethyl-2-(2-ethylbutyl)-3-(3-ethylsulfinylcyclohexyl)guanidine
SMILESCCN/C(=N\CC(CC)CC)NC1CCCC(S(=O)CC)C1
InChIInChI=1S/C17H35N3OS/c1-5-14(6-2)13-19-17(18-7-3)20-15-10-9-11-16(12-15)22(21)8-4/h14-16H,5-13H2,1-4H3,(H2,18,19,20)
InChIKeyOCFLATVFKCEBGT-UHFFFAOYSA-N
MW329.55 g/mol
LogP3.06
Rot. Bonds8

About 1-ethyl-2-(2-ethylbutyl)-3-(3-ethylsulfinylcyclohexyl)guanidine

1-ethyl-2-(2-ethylbutyl)-3-(3-ethylsulfinylcyclohexyl)guanidine (PubChem CID 109438567) has the molecular formula C17H35N3OS and a molecular weight of 329.55 g/mol. Its IUPAC name is 1-ethyl-2-(2-ethylbutyl)-3-(3-ethylsulfinylcyclohexyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-ethylbutyl)-3-(3-ethylsulfinylcyclohexyl)guanidine
PubChem CID109438567
Molecular FormulaC17H35N3OS
Molecular Weight329.55 g/mol
Exact Mass329.25
IUPAC Name1-ethyl-2-(2-ethylbutyl)-3-(3-ethylsulfinylcyclohexyl)guanidine
SMILESCCN/C(=N\CC(CC)CC)NC1CCCC(S(=O)CC)C1
InChIInChI=1S/C17H35N3OS/c1-5-14(6-2)13-19-17(18-7-3)20-15-10-9-11-16(12-15)22(21)8-4/h14-16H,5-13H2,1-4H3,(H2,18,19,20)
InChIKeyOCFLATVFKCEBGT-UHFFFAOYSA-N
XLogP3.06
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.55
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]acetamide
CID 109437985
methyl 3-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]-2-methylpropanoate;hydroiodide
CID 109437272
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-(3-methylbutyl)guanidine
CID 109438691
N-ethyl-2-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]acetamide;hydroiodide
CID 109437984
1-(2-ethylbutyl)-3-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
CID 109440055
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[2-(4-methylphenoxy)propyl]guanidine
CID 109439737
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[2-(2-methylpiperidin-1-yl)propyl]guanidine
CID 109438091
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 109441033
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine
CID 109438733
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[(4-methylcyclohexyl)methyl]guanidine
CID 109439383
N-[2-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109438506
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 109440382

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-ethylbutyl)-3-(3-ethylsulfinylcyclohexyl)guanidine?
The IUPAC name of 1-ethyl-2-(2-ethylbutyl)-3-(3-ethylsulfinylcyclohexyl)guanidine (CID 109438567) is 1-ethyl-2-(2-ethylbutyl)-3-(3-ethylsulfinylcyclohexyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(2-ethylbutyl)-3-(3-ethylsulfinylcyclohexyl)guanidine?
The canonical SMILES for 1-ethyl-2-(2-ethylbutyl)-3-(3-ethylsulfinylcyclohexyl)guanidine is CCN/C(=N\CC(CC)CC)NC1CCCC(S(=O)CC)C1.
What is the InChIKey of 1-ethyl-2-(2-ethylbutyl)-3-(3-ethylsulfinylcyclohexyl)guanidine?
The InChIKey is OCFLATVFKCEBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3OS/c1-5-14(6-2)13-19-17(18-7-3)20-15-10-9-11-16(12-15)22(21)8-4/h14-16H,5-13H2,1-4H3,(H2,18,19,20).
What are the key properties of 1-ethyl-2-(2-ethylbutyl)-3-(3-ethylsulfinylcyclohexyl)guanidine?
1-ethyl-2-(2-ethylbutyl)-3-(3-ethylsulfinylcyclohexyl)guanidine has a molecular weight of 329.55 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-ethylbutyl)-3-(3-ethylsulfinylcyclohexyl)guanidine is sourced from PubChem (CID 109438567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).