1-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine;hydroiodide

C11H22IN3O — CID 111757533

IUPAC1-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine;hydroiodide
SMILESCCOC1CC(N/C(N)=N/C)C12CCC2.I
InChIInChI=1S/C11H21N3O.HI/c1-3-15-9-7-8(14-10(12)13-2)11(9)5-4-6-11;/h8-9H,3-7H2,1-2H3,(H3,12,13,14);1H
InChIKeyAUFORIDSJUHFPT-UHFFFAOYSA-N
MW339.22 g/mol
LogP1.49
Rot. Bonds3

About 1-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine;hydroiodide

1-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine;hydroiodide (PubChem CID 111757533) has the molecular formula C11H22IN3O and a molecular weight of 339.22 g/mol. Its IUPAC name is 1-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine;hydroiodide
PubChem CID111757533
Molecular FormulaC11H22IN3O
Molecular Weight339.22 g/mol
Exact Mass339.08
IUPAC Name1-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine;hydroiodide
SMILESCCOC1CC(N/C(N)=N/C)C12CCC2.I
InChIInChI=1S/C11H21N3O.HI/c1-3-15-9-7-8(14-10(12)13-2)11(9)5-4-6-11;/h8-9H,3-7H2,1-2H3,(H3,12,13,14);1H
InChIKeyAUFORIDSJUHFPT-UHFFFAOYSA-N
XLogP1.49
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 51.49
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

2-(cyclobutylmethyl)-1-(3-ethoxyspiro[3.3]heptan-1-yl)guanidine;hydroiodide
CID 111819901
2-(cyclobutylmethyl)-1-(3-ethoxyspiro[3.3]heptan-1-yl)guanidine
CID 111819902
1-cyclobutyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine
CID 119154552
1-cyclopentyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine
CID 111756442
2-[(3-ethoxyspiro[3.3]heptan-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120976421
3-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)propanamide
CID 119334931
2-[(3,4-dimethoxyphenyl)methyl]-1-(3-ethoxyspiro[3.3]heptan-1-yl)guanidine
CID 111819896
3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)cyclopentane-1-carboxamide
CID 119794729
2-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)pentanamide;hydrochloride
CID 119334950
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
N-(3-ethoxyspiro[3.3]heptan-1-yl)piperidine-2-carboxamide;hydrochloride
CID 119334924
1-(carbamoylamino)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]cyclopropane-1-carboxamide
CID 124590561

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine;hydroiodide (CID 111757533) is 1-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine;hydroiodide is CCOC1CC(N/C(N)=N/C)C12CCC2.I.
What is the InChIKey of 1-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine;hydroiodide?
The InChIKey is AUFORIDSJUHFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O.HI/c1-3-15-9-7-8(14-10(12)13-2)11(9)5-4-6-11;/h8-9H,3-7H2,1-2H3,(H3,12,13,14);1H.
What are the key properties of 1-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine;hydroiodide?
1-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine;hydroiodide has a molecular weight of 339.22 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111757533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).