1-ethyl-3-(4-methylcyclohexyl)-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide

C19H29IN6O — CID 111764342

IUPAC1-ethyl-3-(4-methylcyclohexyl)-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCc1noc(-c2ccccn2)n1)NC1CCC(C)CC1.I
InChIInChI=1S/C19H28N6O.HI/c1-3-20-19(23-15-9-7-14(2)8-10-15)22-13-11-17-24-18(26-25-17)16-6-4-5-12-21-16;/h4-6,12,14-15H,3,7-11,13H2,1-2H3,(H2,20,22,23);1H
InChIKeyUFLSNQOLBSRCHN-UHFFFAOYSA-N
MW484.39 g/mol
LogP3.43
Rot. Bonds6

About 1-ethyl-3-(4-methylcyclohexyl)-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide

1-ethyl-3-(4-methylcyclohexyl)-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide (PubChem CID 111764342) has the molecular formula C19H29IN6O and a molecular weight of 484.39 g/mol. Its IUPAC name is 1-ethyl-3-(4-methylcyclohexyl)-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-(4-methylcyclohexyl)-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
PubChem CID111764342
Molecular FormulaC19H29IN6O
Molecular Weight484.39 g/mol
Exact Mass484.14
IUPAC Name1-ethyl-3-(4-methylcyclohexyl)-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCc1noc(-c2ccccn2)n1)NC1CCC(C)CC1.I
InChIInChI=1S/C19H28N6O.HI/c1-3-20-19(23-15-9-7-14(2)8-10-15)22-13-11-17-24-18(26-25-17)16-6-4-5-12-21-16;/h4-6,12,14-15H,3,7-11,13H2,1-2H3,(H2,20,22,23);1H
InChIKeyUFLSNQOLBSRCHN-UHFFFAOYSA-N
XLogP3.43
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.39
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

1,3-diethyl-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
CID 111427089
1-cyclopropyl-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 110988442
1-ethyl-3-(4-methylcyclohexyl)-2-(pyridin-2-ylmethyl)guanidine
CID 111256893
1-ethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
CID 111765826
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111764793
N'-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111807439
1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
CID 111767156
1-ethyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111768222
1-cyclopropyl-3-ethyl-2-(2-naphthalen-1-ylethyl)guanidine;hydroiodide
CID 110988159
N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]pyridine-3-carboxamide
CID 111255717
2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111255720
3-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111256966

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-methylcyclohexyl)-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-(4-methylcyclohexyl)-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide (CID 111764342) is 1-ethyl-3-(4-methylcyclohexyl)-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-(4-methylcyclohexyl)-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-(4-methylcyclohexyl)-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide is CCN/C(=N\CCc1noc(-c2ccccn2)n1)NC1CCC(C)CC1.I.
What is the InChIKey of 1-ethyl-3-(4-methylcyclohexyl)-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide?
The InChIKey is UFLSNQOLBSRCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O.HI/c1-3-20-19(23-15-9-7-14(2)8-10-15)22-13-11-17-24-18(26-25-17)16-6-4-5-12-21-16;/h4-6,12,14-15H,3,7-11,13H2,1-2H3,(H2,20,22,23);1H.
What are the key properties of 1-ethyl-3-(4-methylcyclohexyl)-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide?
1-ethyl-3-(4-methylcyclohexyl)-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide has a molecular weight of 484.39 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-methylcyclohexyl)-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111764342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).