2-(cyclobutylmethyl)-1-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide

C13H21IN4O — CID 111802945

IUPAC2-(cyclobutylmethyl)-1-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC1CCC1)NCCOc1cccnc1
InChIInChI=1S/C13H20N4O.HI/c14-13(17-9-11-3-1-4-11)16-7-8-18-12-5-2-6-15-10-12;/h2,5-6,10-11H,1,3-4,7-9H2,(H3,14,16,17);1H
InChIKeyCPWDDPDTBHTWAZ-UHFFFAOYSA-N
MW376.24 g/mol
LogP1.78
Rot. Bonds6

About 2-(cyclobutylmethyl)-1-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide

2-(cyclobutylmethyl)-1-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide (PubChem CID 111802945) has the molecular formula C13H21IN4O and a molecular weight of 376.24 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-1-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-1-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
PubChem CID111802945
Molecular FormulaC13H21IN4O
Molecular Weight376.24 g/mol
Exact Mass376.08
IUPAC Name2-(cyclobutylmethyl)-1-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC1CCC1)NCCOc1cccnc1
InChIInChI=1S/C13H20N4O.HI/c14-13(17-9-11-3-1-4-11)16-7-8-18-12-5-2-6-15-10-12;/h2,5-6,10-11H,1,3-4,7-9H2,(H3,14,16,17);1H
InChIKeyCPWDDPDTBHTWAZ-UHFFFAOYSA-N
XLogP1.78
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111055623
2-(cyclobutylmethyl)-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]guanidine;hydroiodide
CID 111805667
1-cyclopropyl-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111335956
2-(cyclobutylmethyl)-1-[3-(2-phenylethoxy)propyl]guanidine
CID 111074333
1-[3-(cyclopropylmethoxy)propyl]-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111839776
2-(cyclooctylmethyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111075397
1-[2-(benzenesulfonyl)ethyl]-2-(cyclobutylmethyl)guanidine;hydroiodide
CID 111065129
1-(2-butoxyethyl)-2-(cyclobutylmethyl)guanidine;hydroiodide
CID 111075034
1,2-dimethyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 75494136
2-methyl-1-(2-phenoxyethyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111834188
2-(cyclobutylmethyl)-1-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide
CID 111031290
2-(cyclobutylmethyl)-1-[2-[4-(2-methylpropoxy)phenyl]ethyl]guanidine;hydroiodide
CID 111806331

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-1-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide?
The IUPAC name of 2-(cyclobutylmethyl)-1-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide (CID 111802945) is 2-(cyclobutylmethyl)-1-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(cyclobutylmethyl)-1-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide?
The canonical SMILES for 2-(cyclobutylmethyl)-1-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide is I.N/C(=N\CC1CCC1)NCCOc1cccnc1.
What is the InChIKey of 2-(cyclobutylmethyl)-1-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide?
The InChIKey is CPWDDPDTBHTWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O.HI/c14-13(17-9-11-3-1-4-11)16-7-8-18-12-5-2-6-15-10-12;/h2,5-6,10-11H,1,3-4,7-9H2,(H3,14,16,17);1H.
What are the key properties of 2-(cyclobutylmethyl)-1-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide?
2-(cyclobutylmethyl)-1-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide has a molecular weight of 376.24 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-1-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide is sourced from PubChem (CID 111802945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).