2-(cyclobutylmethyl)-1-(3-ethoxyspiro[3.3]heptan-1-yl)guanidine

C15H27N3O — CID 111819902

IUPAC2-(cyclobutylmethyl)-1-(3-ethoxyspiro[3.3]heptan-1-yl)guanidine
SMILESCCOC1CC(N/C(N)=N/CC2CCC2)C12CCC2
InChIInChI=1S/C15H27N3O/c1-2-19-13-9-12(15(13)7-4-8-15)18-14(16)17-10-11-5-3-6-11/h11-13H,2-10H2,1H3,(H3,16,17,18)
InChIKeyZFSPSWIYSGNWDN-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.04
Rot. Bonds5

About 2-(cyclobutylmethyl)-1-(3-ethoxyspiro[3.3]heptan-1-yl)guanidine

2-(cyclobutylmethyl)-1-(3-ethoxyspiro[3.3]heptan-1-yl)guanidine (PubChem CID 111819902) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-1-(3-ethoxyspiro[3.3]heptan-1-yl)guanidine.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-1-(3-ethoxyspiro[3.3]heptan-1-yl)guanidine
PubChem CID111819902
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-(cyclobutylmethyl)-1-(3-ethoxyspiro[3.3]heptan-1-yl)guanidine
SMILESCCOC1CC(N/C(N)=N/CC2CCC2)C12CCC2
InChIInChI=1S/C15H27N3O/c1-2-19-13-9-12(15(13)7-4-8-15)18-14(16)17-10-11-5-3-6-11/h11-13H,2-10H2,1H3,(H3,16,17,18)
InChIKeyZFSPSWIYSGNWDN-UHFFFAOYSA-N
XLogP2.04
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.04
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'}

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Related Compounds

2-(cyclobutylmethyl)-1-(3-ethoxyspiro[3.3]heptan-1-yl)guanidine;hydroiodide
CID 111819901
1-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine;hydroiodide
CID 111757533
2-[(3,4-dimethoxyphenyl)methyl]-1-(3-ethoxyspiro[3.3]heptan-1-yl)guanidine
CID 111819896
2-[(3-ethoxyspiro[3.3]heptan-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120976421
3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)cyclopentane-1-carboxamide
CID 119794729
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
3-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)propanamide
CID 119334931
N-(3-ethoxyspiro[3.3]heptan-1-yl)piperidine-2-carboxamide;hydrochloride
CID 119334924
2-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)pentanamide;hydrochloride
CID 119334950
2-(cyclobutylmethyl)-1-spiro[3.4]octan-3-ylguanidine;hydroiodide
CID 120514391
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-1-(3-ethoxyspiro[3.3]heptan-1-yl)guanidine?
The IUPAC name of 2-(cyclobutylmethyl)-1-(3-ethoxyspiro[3.3]heptan-1-yl)guanidine (CID 111819902) is 2-(cyclobutylmethyl)-1-(3-ethoxyspiro[3.3]heptan-1-yl)guanidine.
What is the SMILES notation for 2-(cyclobutylmethyl)-1-(3-ethoxyspiro[3.3]heptan-1-yl)guanidine?
The canonical SMILES for 2-(cyclobutylmethyl)-1-(3-ethoxyspiro[3.3]heptan-1-yl)guanidine is CCOC1CC(N/C(N)=N/CC2CCC2)C12CCC2.
What is the InChIKey of 2-(cyclobutylmethyl)-1-(3-ethoxyspiro[3.3]heptan-1-yl)guanidine?
The InChIKey is ZFSPSWIYSGNWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-2-19-13-9-12(15(13)7-4-8-15)18-14(16)17-10-11-5-3-6-11/h11-13H,2-10H2,1H3,(H3,16,17,18).
What are the key properties of 2-(cyclobutylmethyl)-1-(3-ethoxyspiro[3.3]heptan-1-yl)guanidine?
2-(cyclobutylmethyl)-1-(3-ethoxyspiro[3.3]heptan-1-yl)guanidine has a molecular weight of 265.40 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-1-(3-ethoxyspiro[3.3]heptan-1-yl)guanidine is sourced from PubChem (CID 111819902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).