1-cyclopentyl-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide

C12H24IN3O — CID 111826643

IUPAC1-cyclopentyl-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide
SMILESC/N=C(\NCC1(C)COC1)NC1CCCC1.I
InChIInChI=1S/C12H23N3O.HI/c1-12(8-16-9-12)7-14-11(13-2)15-10-5-3-4-6-10;/h10H,3-9H2,1-2H3,(H2,13,14,15);1H
InChIKeyVSZZPSFYQZAFHG-UHFFFAOYSA-N
MW353.25 g/mol
LogP1.75
Rot. Bonds3

About 1-cyclopentyl-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide

1-cyclopentyl-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide (PubChem CID 111826643) has the molecular formula C12H24IN3O and a molecular weight of 353.25 g/mol. Its IUPAC name is 1-cyclopentyl-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopentyl-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide
PubChem CID111826643
Molecular FormulaC12H24IN3O
Molecular Weight353.25 g/mol
Exact Mass353.10
IUPAC Name1-cyclopentyl-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide
SMILESC/N=C(\NCC1(C)COC1)NC1CCCC1.I
InChIInChI=1S/C12H23N3O.HI/c1-12(8-16-9-12)7-14-11(13-2)15-10-5-3-4-6-10;/h10H,3-9H2,1-2H3,(H2,13,14,15);1H
InChIKeyVSZZPSFYQZAFHG-UHFFFAOYSA-N
XLogP1.75
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-cyclobutyl-3-[(3-methyloxetan-3-yl)methyl]urea
CID 115624335
1-cyclohexyl-3-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methylguanidine;hydroiodide
CID 111779186
2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylpropyl)guanidine
CID 111828269
1-cyclohexyl-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 110958106
2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111831470
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide
CID 111829789
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine
CID 109470732
1-cyclopropyl-3-[(3-methyloxetan-3-yl)methyl]urea
CID 115624323
1-cyclopentyl-2-methyl-3-[(4-phenyloxan-4-yl)methyl]guanidine;hydroiodide
CID 110992196
1,3-dicyclohexyl-2-methylguanidine;hydrochloride
CID 14771735
1-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-cyclopentyl-2-methylguanidine;hydroiodide
CID 111833822
2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-methylacetamide;hydroiodide
CID 119116667

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopentyl-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide (CID 111826643) is 1-cyclopentyl-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopentyl-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopentyl-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide is C/N=C(\NCC1(C)COC1)NC1CCCC1.I.
What is the InChIKey of 1-cyclopentyl-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide?
The InChIKey is VSZZPSFYQZAFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O.HI/c1-12(8-16-9-12)7-14-11(13-2)15-10-5-3-4-6-10;/h10H,3-9H2,1-2H3,(H2,13,14,15);1H.
What are the key properties of 1-cyclopentyl-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide?
1-cyclopentyl-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide has a molecular weight of 353.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111826643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).