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

C12H17ClIN3 — CID 110935484

IUPAC1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\N)NCC1(c2ccc(Cl)cc2)CC1.I
InChIInChI=1S/C12H16ClN3.HI/c1-15-11(14)16-8-12(6-7-12)9-2-4-10(13)5-3-9;/h2-5H,6-8H2,1H3,(H3,14,15,16);1H
InChIKeyYSYPAMFFKTXMSI-UHFFFAOYSA-N
MW365.65 g/mol
LogP2.52
Rot. Bonds3

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

1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methylguanidine;hydroiodide (PubChem CID 110935484) has the molecular formula C12H17ClIN3 and a molecular weight of 365.65 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methylguanidine;hydroiodide
PubChem CID110935484
Molecular FormulaC12H17ClIN3
Molecular Weight365.65 g/mol
Exact Mass365.02
IUPAC Name1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\N)NCC1(c2ccc(Cl)cc2)CC1.I
InChIInChI=1S/C12H16ClN3.HI/c1-15-11(14)16-8-12(6-7-12)9-2-4-10(13)5-3-9;/h2-5H,6-8H2,1H3,(H3,14,15,16);1H
InChIKeyYSYPAMFFKTXMSI-UHFFFAOYSA-N
XLogP2.52
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.65
LogP ≤ 52.52
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

1-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-methylguanidine
CID 110930692
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-[(3,4-dimethoxyphenyl)methyl]guanidine
CID 111100048
2-methyl-1-[[1-(2-methylphenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 110928186
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109473075
(2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide
CID 118786770
2-[[1-(4-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 110935474
2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-methylpentanamide;hydrochloride
CID 119772688
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111317533
1-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119317240
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea
CID 113090728
1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-(4-ethoxybutyl)-2-methylguanidine
CID 111945221
4-[[[N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide
CID 111875245

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methylguanidine;hydroiodide (CID 110935484) is 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methylguanidine;hydroiodide is C/N=C(\N)NCC1(c2ccc(Cl)cc2)CC1.I.
What is the InChIKey of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methylguanidine;hydroiodide?
The InChIKey is YSYPAMFFKTXMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3.HI/c1-15-11(14)16-8-12(6-7-12)9-2-4-10(13)5-3-9;/h2-5H,6-8H2,1H3,(H3,14,15,16);1H.
What are the key properties of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methylguanidine;hydroiodide?
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methylguanidine;hydroiodide has a molecular weight of 365.65 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 110935484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).