1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(2-hydroxy-3-phenylpropyl)guanidine;hydroiodide

C19H32IN3O — CID 109469775

IUPAC1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(2-hydroxy-3-phenylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC1(CC)CCC1)NCC(O)Cc1ccccc1.I
InChIInChI=1S/C19H31N3O.HI/c1-3-19(11-8-12-19)15-22-18(20-4-2)21-14-17(23)13-16-9-6-5-7-10-16;/h5-7,9-10,17,23H,3-4,8,11-15H2,1-2H3,(H2,20,21,22);1H
InChIKeyKWPCNSLWWZDROI-UHFFFAOYSA-N
MW445.39 g/mol
LogP3.34
Rot. Bonds8

About 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(2-hydroxy-3-phenylpropyl)guanidine;hydroiodide

1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(2-hydroxy-3-phenylpropyl)guanidine;hydroiodide (PubChem CID 109469775) has the molecular formula C19H32IN3O and a molecular weight of 445.39 g/mol. Its IUPAC name is 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(2-hydroxy-3-phenylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(2-hydroxy-3-phenylpropyl)guanidine;hydroiodide
PubChem CID109469775
Molecular FormulaC19H32IN3O
Molecular Weight445.39 g/mol
Exact Mass445.16
IUPAC Name1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(2-hydroxy-3-phenylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC1(CC)CCC1)NCC(O)Cc1ccccc1.I
InChIInChI=1S/C19H31N3O.HI/c1-3-19(11-8-12-19)15-22-18(20-4-2)21-14-17(23)13-16-9-6-5-7-10-16;/h5-7,9-10,17,23H,3-4,8,11-15H2,1-2H3,(H2,20,21,22);1H
InChIKeyKWPCNSLWWZDROI-UHFFFAOYSA-N
XLogP3.34
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.39
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-[(1-ethylcyclobutyl)methyl]-3-(2-hydroxy-3-phenylpropyl)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-(2-benzylsulfinylethyl)-3-ethyl-2-[(1-ethylcyclobutyl)methyl]guanidine;hydroiodide
CID 109470153
2-[[[N-ethyl-N'-[(1-ethylcyclobutyl)methyl]carbamimidoyl]amino]methyl]-3-(4-fluorophenyl)propanamide
CID 109470838
2-[(2-chlorophenyl)methyl]-1-ethyl-3-(2-hydroxy-3-phenylpropyl)guanidine;hydroiodide
CID 111174107
1-ethyl-2-[(4-fluorophenyl)methyl]-3-(2-hydroxy-3-phenylpropyl)guanidine
CID 111232291
1-ethyl-3-(2-hydroxy-3-phenylpropyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111320800
1-ethyl-3-(2-hydroxy-3-phenylpropyl)-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111216894
N-[2-[[N-ethyl-N'-[(1-ethylcyclobutyl)methyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 109468667
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(2-hydroxyethyl)guanidine
CID 109469706
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-[(1-ethylcyclobutyl)methyl]guanidine
CID 109469115
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]guanidine
CID 109470756
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-hydroxy-3-phenylpropyl)guanidine
CID 109430483
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)guanidine;hydroiodide
CID 109470205

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(2-hydroxy-3-phenylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(2-hydroxy-3-phenylpropyl)guanidine;hydroiodide (CID 109469775) is 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(2-hydroxy-3-phenylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(2-hydroxy-3-phenylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(2-hydroxy-3-phenylpropyl)guanidine;hydroiodide is CCN/C(=N\CC1(CC)CCC1)NCC(O)Cc1ccccc1.I.
What is the InChIKey of 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(2-hydroxy-3-phenylpropyl)guanidine;hydroiodide?
The InChIKey is KWPCNSLWWZDROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O.HI/c1-3-19(11-8-12-19)15-22-18(20-4-2)21-14-17(23)13-16-9-6-5-7-10-16;/h5-7,9-10,17,23H,3-4,8,11-15H2,1-2H3,(H2,20,21,22);1H.
What are the key properties of 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(2-hydroxy-3-phenylpropyl)guanidine;hydroiodide?
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(2-hydroxy-3-phenylpropyl)guanidine;hydroiodide has a molecular weight of 445.39 g/mol, XLogP of 3.34, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(2-hydroxy-3-phenylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 109469775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).