2-[[1-(4-chlorophenyl)cyclobutyl]methyl]guanidine

C12H16ClN3 — CID 110935297

IUPAC2-[[1-(4-chlorophenyl)cyclobutyl]methyl]guanidine
SMILESNC(N)=NCC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C12H16ClN3/c13-10-4-2-9(3-5-10)12(6-1-7-12)8-16-11(14)15/h2-5H,1,6-8H2,(H4,14,15,16)
InChIKeyWUKKCJAKQZOZLS-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.04
Rot. Bonds3

About 2-[[1-(4-chlorophenyl)cyclobutyl]methyl]guanidine

2-[[1-(4-chlorophenyl)cyclobutyl]methyl]guanidine (PubChem CID 110935297) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)cyclobutyl]methyl]guanidine.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)cyclobutyl]methyl]guanidine
PubChem CID110935297
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name2-[[1-(4-chlorophenyl)cyclobutyl]methyl]guanidine
SMILESNC(N)=NCC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C12H16ClN3/c13-10-4-2-9(3-5-10)12(6-1-7-12)8-16-11(14)15/h2-5H,1,6-8H2,(H4,14,15,16)
InChIKeyWUKKCJAKQZOZLS-UHFFFAOYSA-N
XLogP2.04
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.04
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-(4-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 110935474
2-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111098220
2-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1,1-diethylguanidine;hydroiodide
CID 111098218
2-[(1-phenylcyclopentyl)methyl]guanidine;hydroiodide
CID 110914388
2-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110030573
2-[[1-(3-bromophenyl)cyclobutyl]methyl]guanidine
CID 110918036
[1-(4-chlorophenyl)cycloheptyl]methanamine
CID 28937852
2-[[4-(3-chlorophenyl)oxan-4-yl]methyl]guanidine
CID 110918050
1-chloro-4-[1-(isocyanatomethyl)cyclohexyl]benzene
CID 82087285
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-one
CID 13083375
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-amine
CID 13083334
1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine
CID 169436266

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)cyclobutyl]methyl]guanidine?
The IUPAC name of 2-[[1-(4-chlorophenyl)cyclobutyl]methyl]guanidine (CID 110935297) is 2-[[1-(4-chlorophenyl)cyclobutyl]methyl]guanidine.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)cyclobutyl]methyl]guanidine?
The canonical SMILES for 2-[[1-(4-chlorophenyl)cyclobutyl]methyl]guanidine is NC(N)=NCC1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 2-[[1-(4-chlorophenyl)cyclobutyl]methyl]guanidine?
The InChIKey is WUKKCJAKQZOZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c13-10-4-2-9(3-5-10)12(6-1-7-12)8-16-11(14)15/h2-5H,1,6-8H2,(H4,14,15,16).
What are the key properties of 2-[[1-(4-chlorophenyl)cyclobutyl]methyl]guanidine?
2-[[1-(4-chlorophenyl)cyclobutyl]methyl]guanidine has a molecular weight of 237.73 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)cyclobutyl]methyl]guanidine is sourced from PubChem (CID 110935297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).