2-[[1-(4-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide

C11H15ClIN3 — CID 110935474

IUPAC2-[[1-(4-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide
SMILESI.NC(N)=NCC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C11H14ClN3.HI/c12-9-3-1-8(2-4-9)11(5-6-11)7-15-10(13)14;/h1-4H,5-7H2,(H4,13,14,15);1H
InChIKeyQQCJMUGPXJEGBX-UHFFFAOYSA-N
MW351.62 g/mol
LogP2.26
Rot. Bonds3

About 2-[[1-(4-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide

2-[[1-(4-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide (PubChem CID 110935474) has the molecular formula C11H15ClIN3 and a molecular weight of 351.62 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide
PubChem CID110935474
Molecular FormulaC11H15ClIN3
Molecular Weight351.62 g/mol
Exact Mass351.00
IUPAC Name2-[[1-(4-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide
SMILESI.NC(N)=NCC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C11H14ClN3.HI/c12-9-3-1-8(2-4-9)11(5-6-11)7-15-10(13)14;/h1-4H,5-7H2,(H4,13,14,15);1H
InChIKeyQQCJMUGPXJEGBX-UHFFFAOYSA-N
XLogP2.26
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.62
LogP ≤ 52.26
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(4-chlorophenyl)cyclobutyl]methyl]guanidine
CID 110935297
2-[(1-phenylcyclopentyl)methyl]guanidine;hydroiodide
CID 110914388
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-(4-chlorophenyl)cyclopentyl]methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110030573
2-[[4-(3-chlorophenyl)oxan-4-yl]methyl]guanidine
CID 110918050
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methylguanidine;hydroiodide
CID 110935484
4-(4-chlorophenyl)-N'-[(4-phenyloxan-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111068031
2-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111190183
4-acetyl-N'-[[1-(4-chlorophenyl)cyclopropyl]methyl]-N-ethylpiperazine-1-carboximidamide
CID 110963669
2-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190184
2-[[1-(3-bromophenyl)cyclobutyl]methyl]guanidine
CID 110918036

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide?
The IUPAC name of 2-[[1-(4-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide (CID 110935474) is 2-[[1-(4-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide?
The canonical SMILES for 2-[[1-(4-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide is I.NC(N)=NCC1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[[1-(4-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide?
The InChIKey is QQCJMUGPXJEGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3.HI/c12-9-3-1-8(2-4-9)11(5-6-11)7-15-10(13)14;/h1-4H,5-7H2,(H4,13,14,15);1H.
What are the key properties of 2-[[1-(4-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide?
2-[[1-(4-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide has a molecular weight of 351.62 g/mol, XLogP of 2.26, 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)cyclopropyl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 110935474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).