1-cyclohexyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide

C14H26IN5 — CID 110958682

IUPAC1-cyclohexyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCn1ccnc1)NC1CCCCC1.I
InChIInChI=1S/C14H25N5.HI/c1-2-16-14(18-13-6-4-3-5-7-13)17-9-11-19-10-8-15-12-19;/h8,10,12-13H,2-7,9,11H2,1H3,(H2,16,17,18);1H
InChIKeyDNYQYMJTUSQVQB-UHFFFAOYSA-N
MW391.30 g/mol
LogP2.39
Rot. Bonds5

About 1-cyclohexyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide

1-cyclohexyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide (PubChem CID 110958682) has the molecular formula C14H26IN5 and a molecular weight of 391.30 g/mol. Its IUPAC name is 1-cyclohexyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
PubChem CID110958682
Molecular FormulaC14H26IN5
Molecular Weight391.30 g/mol
Exact Mass391.12
IUPAC Name1-cyclohexyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCn1ccnc1)NC1CCCCC1.I
InChIInChI=1S/C14H25N5.HI/c1-2-16-14(18-13-6-4-3-5-7-13)17-9-11-19-10-8-15-12-19;/h8,10,12-13H,2-7,9,11H2,1H3,(H2,16,17,18);1H
InChIKeyDNYQYMJTUSQVQB-UHFFFAOYSA-N
XLogP2.39
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 52.39
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-cyclohexyl-3-ethyl-2-(2-imidazol-1-ylethyl)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

1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 110991930
1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine
CID 110991931
1-ethyl-2-(2-imidazol-1-ylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318591
1-cyano-3-cyclooctyl-2-(3-imidazol-1-ylpropyl)guanidine
CID 24858984
1-cyclopentyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 119117343
1-cyclohexyl-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 110958079
1-cyclopentyl-3-(2-imidazol-1-ylethyl)-2-methylguanidine
CID 110991929
1-cyclohexyl-3-ethyl-2-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 110959024
1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine
CID 111924989
1-butan-2-yl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 110945365
1-cyclohexyl-3-(2-imidazol-1-ylethyl)thiourea
CID 115570774
1-cyclopropyl-2-(2-imidazol-1-ylethyl)guanidine
CID 62362892

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide (CID 110958682) is 1-cyclohexyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide is CCN/C(=N\CCn1ccnc1)NC1CCCCC1.I.
What is the InChIKey of 1-cyclohexyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide?
The InChIKey is DNYQYMJTUSQVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5.HI/c1-2-16-14(18-13-6-4-3-5-7-13)17-9-11-19-10-8-15-12-19;/h8,10,12-13H,2-7,9,11H2,1H3,(H2,16,17,18);1H.
What are the key properties of 1-cyclohexyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide?
1-cyclohexyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide has a molecular weight of 391.30 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 110958682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).