2-(cyclobutylmethyl)-1-spiro[3.4]octan-3-ylguanidine;hydroiodide

C14H26IN3 — CID 120514391

IUPAC2-(cyclobutylmethyl)-1-spiro[3.4]octan-3-ylguanidine;hydroiodide
SMILESI.N/C(=N\CC1CCC1)NC1CCC12CCCC2
InChIInChI=1S/C14H25N3.HI/c15-13(16-10-11-4-3-5-11)17-12-6-9-14(12)7-1-2-8-14;/h11-12H,1-10H2,(H3,15,16,17);1H
InChIKeyJFDOXZRRYZMQND-UHFFFAOYSA-N
MW363.29 g/mol
LogP3.03
Rot. Bonds3

About 2-(cyclobutylmethyl)-1-spiro[3.4]octan-3-ylguanidine;hydroiodide

2-(cyclobutylmethyl)-1-spiro[3.4]octan-3-ylguanidine;hydroiodide (PubChem CID 120514391) has the molecular formula C14H26IN3 and a molecular weight of 363.29 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-1-spiro[3.4]octan-3-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-1-spiro[3.4]octan-3-ylguanidine;hydroiodide
PubChem CID120514391
Molecular FormulaC14H26IN3
Molecular Weight363.29 g/mol
Exact Mass363.12
IUPAC Name2-(cyclobutylmethyl)-1-spiro[3.4]octan-3-ylguanidine;hydroiodide
SMILESI.N/C(=N\CC1CCC1)NC1CCC12CCCC2
InChIInChI=1S/C14H25N3.HI/c15-13(16-10-11-4-3-5-11)17-12-6-9-14(12)7-1-2-8-14;/h11-12H,1-10H2,(H3,15,16,17);1H
InChIKeyJFDOXZRRYZMQND-UHFFFAOYSA-N
XLogP3.03
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 53.03
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

2-(cyclobutylmethyl)-1-(3-ethoxyspiro[3.3]heptan-1-yl)guanidine;hydroiodide
CID 111819901
1-cyclobutyl-2-(cycloheptylmethyl)guanidine
CID 122097653
2-(cyclobutylmethyl)-1-(3-ethoxyspiro[3.3]heptan-1-yl)guanidine
CID 111819902
2-(cyclobutylmethyl)-1-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine;hydroiodide
CID 120666045
1-[(1R,2S)-2-cyclobutylcyclopropyl]-2-(cyclobutylmethyl)guanidine
CID 122126105
2-[(3,4-dimethoxyphenyl)methyl]-1-spiro[3.4]octan-3-ylguanidine
CID 120514402
1-cyclobutyl-2-[(3,3-dimethylcyclohexyl)methyl]guanidine
CID 122098227
1-amino-2-(cyclohexylmethyl)guanidine
CID 64867312
2-(cyclobutylmethyl)-1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)guanidine;hydroiodide
CID 111815699
2-(oxolan-2-ylmethyl)-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide
CID 122125944
1-cyclopentyl-2-[(1,1-dioxothiolan-3-yl)methyl]guanidine
CID 55063969
1-cyclopropyl-2-[(3-hydroxycyclohexyl)methyl]guanidine
CID 103696907

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-1-spiro[3.4]octan-3-ylguanidine;hydroiodide?
The IUPAC name of 2-(cyclobutylmethyl)-1-spiro[3.4]octan-3-ylguanidine;hydroiodide (CID 120514391) is 2-(cyclobutylmethyl)-1-spiro[3.4]octan-3-ylguanidine;hydroiodide.
What is the SMILES notation for 2-(cyclobutylmethyl)-1-spiro[3.4]octan-3-ylguanidine;hydroiodide?
The canonical SMILES for 2-(cyclobutylmethyl)-1-spiro[3.4]octan-3-ylguanidine;hydroiodide is I.N/C(=N\CC1CCC1)NC1CCC12CCCC2.
What is the InChIKey of 2-(cyclobutylmethyl)-1-spiro[3.4]octan-3-ylguanidine;hydroiodide?
The InChIKey is JFDOXZRRYZMQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3.HI/c15-13(16-10-11-4-3-5-11)17-12-6-9-14(12)7-1-2-8-14;/h11-12H,1-10H2,(H3,15,16,17);1H.
What are the key properties of 2-(cyclobutylmethyl)-1-spiro[3.4]octan-3-ylguanidine;hydroiodide?
2-(cyclobutylmethyl)-1-spiro[3.4]octan-3-ylguanidine;hydroiodide has a molecular weight of 363.29 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-1-spiro[3.4]octan-3-ylguanidine;hydroiodide is sourced from PubChem (CID 120514391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).