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

C12H24IN5 — CID 110945365

IUPAC1-butan-2-yl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCn1ccnc1)NC(C)CC.I
InChIInChI=1S/C12H23N5.HI/c1-4-11(3)16-12(14-5-2)15-7-9-17-8-6-13-10-17;/h6,8,10-11H,4-5,7,9H2,1-3H3,(H2,14,15,16);1H
InChIKeyYSVKDKVRUAVAQH-UHFFFAOYSA-N
MW365.26 g/mol
LogP1.85
Rot. Bonds6

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

1-butan-2-yl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide (PubChem CID 110945365) has the molecular formula C12H24IN5 and a molecular weight of 365.26 g/mol. Its IUPAC name is 1-butan-2-yl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-butan-2-yl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
PubChem CID110945365
Molecular FormulaC12H24IN5
Molecular Weight365.26 g/mol
Exact Mass365.11
IUPAC Name1-butan-2-yl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCn1ccnc1)NC(C)CC.I
InChIInChI=1S/C12H23N5.HI/c1-4-11(3)16-12(14-5-2)15-7-9-17-8-6-13-10-17;/h6,8,10-11H,4-5,7,9H2,1-3H3,(H2,14,15,16);1H
InChIKeyYSVKDKVRUAVAQH-UHFFFAOYSA-N
XLogP1.85
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 51.85
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-butan-2-yl-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-ethyl-2-(2-imidazol-1-ylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318591
1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 110991930
1-cyclohexyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 110958682
1-ethyl-3-(3-imidazol-1-ylpropyl)-2-propylguanidine
CID 111228481
1-ethyl-2-hexyl-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 111160602
1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine
CID 110991931
1-ethyl-3-(2-imidazol-1-ylethyl)-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111401338
1-ethyl-3-(2-imidazol-1-ylethyl)-2-(3-methoxypropyl)guanidine;hydroiodide
CID 110975814
1-ethyl-3-(2-imidazol-1-ylethyl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111146272
2-[2-(4-tert-butylphenyl)ethyl]-1-ethyl-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 111892068
2-(3,3-diphenylpropyl)-1-ethyl-3-(2-imidazol-1-ylethyl)guanidine
CID 111233809
1-(3-imidazol-1-ylpropyl)-2-methyl-3-octan-2-ylguanidine;hydroiodide
CID 111212394

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-butan-2-yl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide (CID 110945365) is 1-butan-2-yl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-butan-2-yl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-butan-2-yl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide is CCN/C(=N\CCn1ccnc1)NC(C)CC.I.
What is the InChIKey of 1-butan-2-yl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide?
The InChIKey is YSVKDKVRUAVAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5.HI/c1-4-11(3)16-12(14-5-2)15-7-9-17-8-6-13-10-17;/h6,8,10-11H,4-5,7,9H2,1-3H3,(H2,14,15,16);1H.
What are the key properties of 1-butan-2-yl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide?
1-butan-2-yl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide has a molecular weight of 365.26 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 110945365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).