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

C16H29N3O — CID 111756442

IUPAC1-cyclopentyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine
SMILESCCOC1CC(N/C(=N/C)NC2CCCC2)C12CCC2
InChIInChI=1S/C16H29N3O/c1-3-20-14-11-13(16(14)9-6-10-16)19-15(17-2)18-12-7-4-5-8-12/h12-14H,3-11H2,1-2H3,(H2,17,18,19)
InChIKeyAKLPITGDFJAIQY-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.44
Rot. Bonds4

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

1-cyclopentyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine (PubChem CID 111756442) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-cyclopentyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine.

Molecular Properties

Compound Name1-cyclopentyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine
PubChem CID111756442
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-cyclopentyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine
SMILESCCOC1CC(N/C(=N/C)NC2CCCC2)C12CCC2
InChIInChI=1S/C16H29N3O/c1-3-20-14-11-13(16(14)9-6-10-16)19-15(17-2)18-12-7-4-5-8-12/h12-14H,3-11H2,1-2H3,(H2,17,18,19)
InChIKeyAKLPITGDFJAIQY-UHFFFAOYSA-N
XLogP2.44
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.44
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

1-cyclobutyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine
CID 119154552
1-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyl-3-(oxan-4-yl)guanidine
CID 119162038
1-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111756930
3-[[N-(3-ethoxyspiro[3.4]octan-1-yl)-N'-methylcarbamimidoyl]amino]-N,N-dimethylcyclohexane-1-carboxamide;hydroiodide
CID 119162509
1-(1-cyclopropylpyrrolidin-3-yl)-3-(3-ethoxyspiro[3.4]octan-1-yl)-2-methylguanidine
CID 119162174
1-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methyl-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine
CID 109396788
1-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine;hydroiodide
CID 111757533
1-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyl-3-(2-methylsulfanylethyl)guanidine
CID 111756942
N-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170310
N-cyclooctyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170708
N-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65168133
1-(3-ethoxyspiro[3.4]octan-1-yl)-2-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111756599

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine?
The IUPAC name of 1-cyclopentyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine (CID 111756442) is 1-cyclopentyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine.
What is the SMILES notation for 1-cyclopentyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine?
The canonical SMILES for 1-cyclopentyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine is CCOC1CC(N/C(=N/C)NC2CCCC2)C12CCC2.
What is the InChIKey of 1-cyclopentyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine?
The InChIKey is AKLPITGDFJAIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-3-20-14-11-13(16(14)9-6-10-16)19-15(17-2)18-12-7-4-5-8-12/h12-14H,3-11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-cyclopentyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine?
1-cyclopentyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine has a molecular weight of 279.43 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine is sourced from PubChem (CID 111756442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).