2-(cyclobutylmethyl)-1-[2-(oxan-4-yl)ethyl]guanidine;hydroiodide

C13H26IN3O — CID 119146618

IUPAC2-(cyclobutylmethyl)-1-[2-(oxan-4-yl)ethyl]guanidine;hydroiodide
SMILESI.N/C(=N\CC1CCC1)NCCC1CCOCC1
InChIInChI=1S/C13H25N3O.HI/c14-13(16-10-12-2-1-3-12)15-7-4-11-5-8-17-9-6-11;/h11-12H,1-10H2,(H3,14,15,16);1H
InChIKeyCUEAJEBHGICTMM-UHFFFAOYSA-N
MW367.28 g/mol
LogP2.13
Rot. Bonds5

About 2-(cyclobutylmethyl)-1-[2-(oxan-4-yl)ethyl]guanidine;hydroiodide

2-(cyclobutylmethyl)-1-[2-(oxan-4-yl)ethyl]guanidine;hydroiodide (PubChem CID 119146618) has the molecular formula C13H26IN3O and a molecular weight of 367.28 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-1-[2-(oxan-4-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-1-[2-(oxan-4-yl)ethyl]guanidine;hydroiodide
PubChem CID119146618
Molecular FormulaC13H26IN3O
Molecular Weight367.28 g/mol
Exact Mass367.11
IUPAC Name2-(cyclobutylmethyl)-1-[2-(oxan-4-yl)ethyl]guanidine;hydroiodide
SMILESI.N/C(=N\CC1CCC1)NCCC1CCOCC1
InChIInChI=1S/C13H25N3O.HI/c14-13(16-10-12-2-1-3-12)15-7-4-11-5-8-17-9-6-11;/h11-12H,1-10H2,(H3,14,15,16);1H
InChIKeyCUEAJEBHGICTMM-UHFFFAOYSA-N
XLogP2.13
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 52.13
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-cyclohexylpropyl)guanidine;hydroiodide
CID 111062821
2-(cyclobutylmethyl)-1-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111818632
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111027951
2-(oxan-4-ylmethyl)-1-(oxolan-2-ylmethyl)guanidine
CID 119118912
2-(cyclobutylmethyl)-1-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 119117526
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111095014
2-(cyclobutylmethyl)-1-(2-methylsulfanylethyl)guanidine
CID 111030376
2-(oxan-4-yl)ethylurea
CID 68798130
2-(cyclobutylmethyl)-1-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111036029
2-(cyclobutylmethyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034788
1-[2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-2-(cyclobutylmethyl)guanidine
CID 122097289
2-(cyclobutylmethyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide
CID 111096600

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-1-[2-(oxan-4-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 2-(cyclobutylmethyl)-1-[2-(oxan-4-yl)ethyl]guanidine;hydroiodide (CID 119146618) is 2-(cyclobutylmethyl)-1-[2-(oxan-4-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-(cyclobutylmethyl)-1-[2-(oxan-4-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-(cyclobutylmethyl)-1-[2-(oxan-4-yl)ethyl]guanidine;hydroiodide is I.N/C(=N\CC1CCC1)NCCC1CCOCC1.
What is the InChIKey of 2-(cyclobutylmethyl)-1-[2-(oxan-4-yl)ethyl]guanidine;hydroiodide?
The InChIKey is CUEAJEBHGICTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.HI/c14-13(16-10-12-2-1-3-12)15-7-4-11-5-8-17-9-6-11;/h11-12H,1-10H2,(H3,14,15,16);1H.
What are the key properties of 2-(cyclobutylmethyl)-1-[2-(oxan-4-yl)ethyl]guanidine;hydroiodide?
2-(cyclobutylmethyl)-1-[2-(oxan-4-yl)ethyl]guanidine;hydroiodide has a molecular weight of 367.28 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-1-[2-(oxan-4-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 119146618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).