1-ethyl-2-[2-(3-methylcyclohexyl)ethyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide

C18H34IN5 — CID 111558068

IUPAC1-ethyl-2-[2-(3-methylcyclohexyl)ethyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCC1CCCC(C)C1)NCCc1cnn(C)c1.I
InChIInChI=1S/C18H33N5.HI/c1-4-19-18(21-11-9-17-13-22-23(3)14-17)20-10-8-16-7-5-6-15(2)12-16;/h13-16H,4-12H2,1-3H3,(H2,19,20,21);1H
InChIKeyGWIMJZSJBUUYGE-UHFFFAOYSA-N
MW447.41 g/mol
LogP3.35
Rot. Bonds7

About 1-ethyl-2-[2-(3-methylcyclohexyl)ethyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide

1-ethyl-2-[2-(3-methylcyclohexyl)ethyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide (PubChem CID 111558068) has the molecular formula C18H34IN5 and a molecular weight of 447.41 g/mol. Its IUPAC name is 1-ethyl-2-[2-(3-methylcyclohexyl)ethyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[2-(3-methylcyclohexyl)ethyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
PubChem CID111558068
Molecular FormulaC18H34IN5
Molecular Weight447.41 g/mol
Exact Mass447.19
IUPAC Name1-ethyl-2-[2-(3-methylcyclohexyl)ethyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCC1CCCC(C)C1)NCCc1cnn(C)c1.I
InChIInChI=1S/C18H33N5.HI/c1-4-19-18(21-11-9-17-13-22-23(3)14-17)20-10-8-16-7-5-6-15(2)12-16;/h13-16H,4-12H2,1-3H3,(H2,19,20,21);1H
InChIKeyGWIMJZSJBUUYGE-UHFFFAOYSA-N
XLogP3.35
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze 1-ethyl-2-[2-(3-methylcyclohexyl)ethyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
CID 111608816
1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-[2-(3-methylcyclohexyl)ethyl]guanidine;hydroiodide
CID 111557968
1,3-diethyl-2-[3-(1-methylpyrazol-4-yl)propyl]guanidine;hydroiodide
CID 86777200
1-cyclopropyl-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 110988940
1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]-2-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111627689
1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188724
1-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125439
1-ethyl-3-(2-ethylsulfonylethyl)-2-[2-(3-methylcyclohexyl)ethyl]guanidine
CID 111558239
1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111407390
2-(cyclopropylmethyl)-1-ethyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine
CID 111869810
2-[2-(1,3-benzodioxol-5-yl)ethyl]-1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111379294
1-ethyl-2-[2-(2-methoxy-5-methylphenyl)ethyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111388347

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(3-methylcyclohexyl)ethyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[2-(3-methylcyclohexyl)ethyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide (CID 111558068) is 1-ethyl-2-[2-(3-methylcyclohexyl)ethyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[2-(3-methylcyclohexyl)ethyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[2-(3-methylcyclohexyl)ethyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide is CCN/C(=N\CCC1CCCC(C)C1)NCCc1cnn(C)c1.I.
What is the InChIKey of 1-ethyl-2-[2-(3-methylcyclohexyl)ethyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide?
The InChIKey is GWIMJZSJBUUYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5.HI/c1-4-19-18(21-11-9-17-13-22-23(3)14-17)20-10-8-16-7-5-6-15(2)12-16;/h13-16H,4-12H2,1-3H3,(H2,19,20,21);1H.
What are the key properties of 1-ethyl-2-[2-(3-methylcyclohexyl)ethyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide?
1-ethyl-2-[2-(3-methylcyclohexyl)ethyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide has a molecular weight of 447.41 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(3-methylcyclohexyl)ethyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111558068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).