1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide

C17H27FIN3O — CID 111236606

IUPAC1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCC1(c2ccc(F)cc2)CCC1)NC(C)COC.I
InChIInChI=1S/C17H26FN3O.HI/c1-13(11-22-3)21-16(19-2)20-12-17(9-4-10-17)14-5-7-15(18)8-6-14;/h5-8,13H,4,9-12H2,1-3H3,(H2,19,20,21);1H
InChIKeyXKAXMUVVQVSEAC-UHFFFAOYSA-N
MW435.33 g/mol
LogP3.07
Rot. Bonds6

About 1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide

1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide (PubChem CID 111236606) has the molecular formula C17H27FIN3O and a molecular weight of 435.33 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
PubChem CID111236606
Molecular FormulaC17H27FIN3O
Molecular Weight435.33 g/mol
Exact Mass435.12
IUPAC Name1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCC1(c2ccc(F)cc2)CCC1)NC(C)COC.I
InChIInChI=1S/C17H26FN3O.HI/c1-13(11-22-3)21-16(19-2)20-12-17(9-4-10-17)14-5-7-15(18)8-6-14;/h5-8,13H,4,9-12H2,1-3H3,(H2,19,20,21);1H
InChIKeyXKAXMUVVQVSEAC-UHFFFAOYSA-N
XLogP3.07
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.33
LogP ≤ 53.07
H-Bond Donors ≤ 52
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-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;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-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methyl-3-propan-2-ylguanidine
CID 111124119
1-cyclopropyl-3-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylguanidine;hydroiodide
CID 110934408
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 110976132
1-(cyclopropylmethyl)-3-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylguanidine
CID 111868214
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111405500
1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 111586400
1-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-methyl-3-prop-2-enylguanidine
CID 110982525
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111652249
1-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109471903
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-propylguanidine
CID 111228209
1-(1-methoxypropan-2-yl)-2-methyl-3-[(1-propoxycyclohexyl)methyl]guanidine
CID 111756964
1-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111126521

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide (CID 111236606) is 1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide is C/N=C(/NCC1(c2ccc(F)cc2)CCC1)NC(C)COC.I.
What is the InChIKey of 1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide?
The InChIKey is XKAXMUVVQVSEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O.HI/c1-13(11-22-3)21-16(19-2)20-12-17(9-4-10-17)14-5-7-15(18)8-6-14;/h5-8,13H,4,9-12H2,1-3H3,(H2,19,20,21);1H.
What are the key properties of 1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide?
1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide has a molecular weight of 435.33 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111236606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).