1-[2-(4-bromophenyl)cyclopropyl]-3-butyl-2-methylguanidine;hydroiodide

C15H23BrIN3 — CID 111150909

IUPAC1-[2-(4-bromophenyl)cyclopropyl]-3-butyl-2-methylguanidine;hydroiodide
SMILESCCCCN/C(=N\C)NC1CC1c1ccc(Br)cc1.I
InChIInChI=1S/C15H22BrN3.HI/c1-3-4-9-18-15(17-2)19-14-10-13(14)11-5-7-12(16)8-6-11;/h5-8,13-14H,3-4,9-10H2,1-2H3,(H2,17,18,19);1H
InChIKeyZZFSTJWUHMUDCX-UHFFFAOYSA-N
MW452.18 g/mol
LogP3.89
Rot. Bonds5

About 1-[2-(4-bromophenyl)cyclopropyl]-3-butyl-2-methylguanidine;hydroiodide

1-[2-(4-bromophenyl)cyclopropyl]-3-butyl-2-methylguanidine;hydroiodide (PubChem CID 111150909) has the molecular formula C15H23BrIN3 and a molecular weight of 452.18 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)cyclopropyl]-3-butyl-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)cyclopropyl]-3-butyl-2-methylguanidine;hydroiodide
PubChem CID111150909
Molecular FormulaC15H23BrIN3
Molecular Weight452.18 g/mol
Exact Mass451.01
IUPAC Name1-[2-(4-bromophenyl)cyclopropyl]-3-butyl-2-methylguanidine;hydroiodide
SMILESCCCCN/C(=N\C)NC1CC1c1ccc(Br)cc1.I
InChIInChI=1S/C15H22BrN3.HI/c1-3-4-9-18-15(17-2)19-14-10-13(14)11-5-7-12(16)8-6-11;/h5-8,13-14H,3-4,9-10H2,1-2H3,(H2,17,18,19);1H
InChIKeyZZFSTJWUHMUDCX-UHFFFAOYSA-N
XLogP3.89
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.18
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-bromophenyl)cyclopropyl]-2,3-dimethylguanidine
CID 110927984
1-butyl-3-[2-(2,6-difluorophenyl)cyclopropyl]-2-methylguanidine
CID 111792647
3-[2-(4-bromophenyl)cyclopropyl]-1-butyl-1,2-dimethylguanidine;hydroiodide
CID 111159276
1-[2-(4-bromophenyl)cyclopropyl]-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 111535709
1-[2-(4-bromophenyl)cyclopropyl]-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111952734
1-[2-(4-bromophenyl)cyclopropyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine;hydroiodide
CID 110999182
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine;hydroiodide
CID 111776637
1-[2-(4-bromophenyl)cyclopropyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315851
1-[2-(4-bromophenyl)cyclopropyl]-2-butylguanidine
CID 111096189
3-[2-[[N-[2-(4-bromophenyl)cyclopropyl]-N'-methylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111669850
1-[2-(4-bromophenyl)cyclopropyl]-2-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 111586448
1-[2-(4-bromophenyl)cyclopropyl]-3-[(3-methoxyphenyl)methyl]-2-methylguanidine
CID 111251649

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)cyclopropyl]-3-butyl-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[2-(4-bromophenyl)cyclopropyl]-3-butyl-2-methylguanidine;hydroiodide (CID 111150909) is 1-[2-(4-bromophenyl)cyclopropyl]-3-butyl-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(4-bromophenyl)cyclopropyl]-3-butyl-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(4-bromophenyl)cyclopropyl]-3-butyl-2-methylguanidine;hydroiodide is CCCCN/C(=N\C)NC1CC1c1ccc(Br)cc1.I.
What is the InChIKey of 1-[2-(4-bromophenyl)cyclopropyl]-3-butyl-2-methylguanidine;hydroiodide?
The InChIKey is ZZFSTJWUHMUDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3.HI/c1-3-4-9-18-15(17-2)19-14-10-13(14)11-5-7-12(16)8-6-11;/h5-8,13-14H,3-4,9-10H2,1-2H3,(H2,17,18,19);1H.
What are the key properties of 1-[2-(4-bromophenyl)cyclopropyl]-3-butyl-2-methylguanidine;hydroiodide?
1-[2-(4-bromophenyl)cyclopropyl]-3-butyl-2-methylguanidine;hydroiodide has a molecular weight of 452.18 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)cyclopropyl]-3-butyl-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111150909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).