2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-(2-methylpropyl)guanidine

C15H22BrN3 — CID 111812092

IUPAC2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-(2-methylpropyl)guanidine
SMILESCC(C)CN/C(N)=N/CC1(c2cccc(Br)c2)CC1
InChIInChI=1S/C15H22BrN3/c1-11(2)9-18-14(17)19-10-15(6-7-15)12-4-3-5-13(16)8-12/h3-5,8,11H,6-7,9-10H2,1-2H3,(H3,17,18,19)
InChIKeyPPPMGZXYJGMBKW-UHFFFAOYSA-N
MW324.27 g/mol
LogP3.04
Rot. Bonds5

About 2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-(2-methylpropyl)guanidine

2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-(2-methylpropyl)guanidine (PubChem CID 111812092) has the molecular formula C15H22BrN3 and a molecular weight of 324.27 g/mol. Its IUPAC name is 2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-(2-methylpropyl)guanidine
PubChem CID111812092
Molecular FormulaC15H22BrN3
Molecular Weight324.27 g/mol
Exact Mass323.10
IUPAC Name2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-(2-methylpropyl)guanidine
SMILESCC(C)CN/C(N)=N/CC1(c2cccc(Br)c2)CC1
InChIInChI=1S/C15H22BrN3/c1-11(2)9-18-14(17)19-10-15(6-7-15)12-4-3-5-13(16)8-12/h3-5,8,11H,6-7,9-10H2,1-2H3,(H3,17,18,19)
InChIKeyPPPMGZXYJGMBKW-UHFFFAOYSA-N
XLogP3.04
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111807333
2-[[1-(3-bromophenyl)cyclobutyl]methyl]guanidine
CID 110918036
N'-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-4-carboximidamide
CID 111812086
2-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-ethyl-1,1-dimethylguanidine;hydroiodide
CID 111572858
2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-1-(2-methylpropyl)guanidine
CID 111037658
2-[[1-(3-bromophenyl)cyclobutyl]methyl]-1,1-diethylguanidine
CID 111077393
N'-[[1-(3-bromophenyl)cyclopropyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111812111
1-butyl-2-[[1-(3-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 111640337
2-[[1-(3-bromophenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine
CID 119934704
ethyl 4-[[N'-[[1-(3-bromophenyl)cyclopropyl]methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111812094
2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide
CID 111572766
ethyl 4-[[N'-[[1-(3-bromophenyl)cyclopropyl]methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111812093

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-(2-methylpropyl)guanidine?
The IUPAC name of 2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-(2-methylpropyl)guanidine (CID 111812092) is 2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-(2-methylpropyl)guanidine.
What is the SMILES notation for 2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-(2-methylpropyl)guanidine?
The canonical SMILES for 2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-(2-methylpropyl)guanidine is CC(C)CN/C(N)=N/CC1(c2cccc(Br)c2)CC1.
What is the InChIKey of 2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-(2-methylpropyl)guanidine?
The InChIKey is PPPMGZXYJGMBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3/c1-11(2)9-18-14(17)19-10-15(6-7-15)12-4-3-5-13(16)8-12/h3-5,8,11H,6-7,9-10H2,1-2H3,(H3,17,18,19).
What are the key properties of 2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-(2-methylpropyl)guanidine?
2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-(2-methylpropyl)guanidine has a molecular weight of 324.27 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-(2-methylpropyl)guanidine is sourced from PubChem (CID 111812092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).