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

C14H19BrIN3 — CID 110030869

IUPAC2-[2-(4-bromophenyl)cyclopropyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
SMILESCN(/C(N)=N/C1CC1c1ccc(Br)cc1)C1CC1.I
InChIInChI=1S/C14H18BrN3.HI/c1-18(11-6-7-11)14(16)17-13-8-12(13)9-2-4-10(15)5-3-9;/h2-5,11-13H,6-8H2,1H3,(H2,16,17);1H
InChIKeyWFOHUUZRBMYZNG-UHFFFAOYSA-N
MW436.14 g/mol
LogP3.33
Rot. Bonds3

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

2-[2-(4-bromophenyl)cyclopropyl]-1-cyclopropyl-1-methylguanidine;hydroiodide (PubChem CID 110030869) has the molecular formula C14H19BrIN3 and a molecular weight of 436.14 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)cyclopropyl]-1-cyclopropyl-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)cyclopropyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
PubChem CID110030869
Molecular FormulaC14H19BrIN3
Molecular Weight436.14 g/mol
Exact Mass434.98
IUPAC Name2-[2-(4-bromophenyl)cyclopropyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
SMILESCN(/C(N)=N/C1CC1c1ccc(Br)cc1)C1CC1.I
InChIInChI=1S/C14H18BrN3.HI/c1-18(11-6-7-11)14(16)17-13-8-12(13)9-2-4-10(15)5-3-9;/h2-5,11-13H,6-8H2,1H3,(H2,16,17);1H
InChIKeyWFOHUUZRBMYZNG-UHFFFAOYSA-N
XLogP3.33
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.14
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

1-cyclopropyl-2-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-1-methylguanidine
CID 122098698
2-[2-(4-bromophenyl)cyclopropyl]-1-propan-2-ylguanidine;hydroiodide
CID 111096204
N'-[2-(4-bromophenyl)cyclopropyl]piperidine-1-carboximidamide;hydroiodide
CID 111096242
1,2-dicyclopropyl-1-methylguanidine
CID 62359014
2-[(1R,2S)-2-(4-bromophenyl)cyclopropyl]-1-[2-(methoxymethyl)phenyl]guanidine;hydroiodide
CID 120671305
2-amino-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 87258181
2-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110031837
2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1-dimethylguanidine;hydroiodide
CID 119147957
2-(4-bromophenyl)cyclopropan-1-amine
CID 21190524
1-cyclopropyl-2-[3-(2-fluorophenyl)cyclobutyl]-1-methylguanidine
CID 120671550
N-(4-aminooxycyclohexyl)-4-bromo-N-methylbenzamide
CID 84607748
2-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-cyclopropyl-1-methylguanidine
CID 122096951

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)cyclopropyl]-1-cyclopropyl-1-methylguanidine;hydroiodide?
The IUPAC name of 2-[2-(4-bromophenyl)cyclopropyl]-1-cyclopropyl-1-methylguanidine;hydroiodide (CID 110030869) is 2-[2-(4-bromophenyl)cyclopropyl]-1-cyclopropyl-1-methylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(4-bromophenyl)cyclopropyl]-1-cyclopropyl-1-methylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(4-bromophenyl)cyclopropyl]-1-cyclopropyl-1-methylguanidine;hydroiodide is CN(/C(N)=N/C1CC1c1ccc(Br)cc1)C1CC1.I.
What is the InChIKey of 2-[2-(4-bromophenyl)cyclopropyl]-1-cyclopropyl-1-methylguanidine;hydroiodide?
The InChIKey is WFOHUUZRBMYZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3.HI/c1-18(11-6-7-11)14(16)17-13-8-12(13)9-2-4-10(15)5-3-9;/h2-5,11-13H,6-8H2,1H3,(H2,16,17);1H.
What are the key properties of 2-[2-(4-bromophenyl)cyclopropyl]-1-cyclopropyl-1-methylguanidine;hydroiodide?
2-[2-(4-bromophenyl)cyclopropyl]-1-cyclopropyl-1-methylguanidine;hydroiodide has a molecular weight of 436.14 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)cyclopropyl]-1-cyclopropyl-1-methylguanidine;hydroiodide is sourced from PubChem (CID 110030869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).