1-(cyclobutylmethyl)-3-ethyl-2-(furan-3-ylmethyl)guanidine;hydroiodide

C13H22IN3O — CID 119151128

IUPAC1-(cyclobutylmethyl)-3-ethyl-2-(furan-3-ylmethyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccoc1)NCC1CCC1.I
InChIInChI=1S/C13H21N3O.HI/c1-2-14-13(15-8-11-4-3-5-11)16-9-12-6-7-17-10-12;/h6-7,10-11H,2-5,8-9H2,1H3,(H2,14,15,16);1H
InChIKeyKAIBJIXMLWTERQ-UHFFFAOYSA-N
MW363.24 g/mol
LogP2.75
Rot. Bonds5

About 1-(cyclobutylmethyl)-3-ethyl-2-(furan-3-ylmethyl)guanidine;hydroiodide

1-(cyclobutylmethyl)-3-ethyl-2-(furan-3-ylmethyl)guanidine;hydroiodide (PubChem CID 119151128) has the molecular formula C13H22IN3O and a molecular weight of 363.24 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-ethyl-2-(furan-3-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-ethyl-2-(furan-3-ylmethyl)guanidine;hydroiodide
PubChem CID119151128
Molecular FormulaC13H22IN3O
Molecular Weight363.24 g/mol
Exact Mass363.08
IUPAC Name1-(cyclobutylmethyl)-3-ethyl-2-(furan-3-ylmethyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccoc1)NCC1CCC1.I
InChIInChI=1S/C13H21N3O.HI/c1-2-14-13(15-8-11-4-3-5-11)16-9-12-6-7-17-10-12;/h6-7,10-11H,2-5,8-9H2,1H3,(H2,14,15,16);1H
InChIKeyKAIBJIXMLWTERQ-UHFFFAOYSA-N
XLogP2.75
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 52.75
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

1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-ethyl-2-(furan-3-ylmethyl)guanidine;hydroiodide
CID 119117063
1-(cyclopropylmethyl)-2-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-ethylguanidine;hydroiodide
CID 111867535
1-(cyclopropylmethyl)-2-[[4-(ethoxymethyl)phenyl]methyl]-3-ethylguanidine;hydroiodide
CID 111870307
1-(cyclopropylmethyl)-3-ethyl-2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]guanidine
CID 111870312
1-(cyclopropylmethyl)-3-ethyl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine;hydroiodide
CID 111867923
1-(cyclopropylmethyl)-2-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-ethylguanidine;hydroiodide
CID 111868897
2-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-1-(cyclopropylmethyl)-3-ethylguanidine
CID 111999411
4-[[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111870648
1-(cyclopropylmethyl)-3-ethyl-2-[(3-fluoro-4-methylphenyl)methyl]guanidine;hydroiodide
CID 111845716
2-benzyl-1-ethyl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 110952879
1-ethyl-3-[(1-methylpiperidin-3-yl)methyl]-2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111769074
1-(cyclopropylmethyl)-3-ethyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]guanidine
CID 111868332

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-ethyl-2-(furan-3-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-(cyclobutylmethyl)-3-ethyl-2-(furan-3-ylmethyl)guanidine;hydroiodide (CID 119151128) is 1-(cyclobutylmethyl)-3-ethyl-2-(furan-3-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-ethyl-2-(furan-3-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(cyclobutylmethyl)-3-ethyl-2-(furan-3-ylmethyl)guanidine;hydroiodide is CCN/C(=N\Cc1ccoc1)NCC1CCC1.I.
What is the InChIKey of 1-(cyclobutylmethyl)-3-ethyl-2-(furan-3-ylmethyl)guanidine;hydroiodide?
The InChIKey is KAIBJIXMLWTERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O.HI/c1-2-14-13(15-8-11-4-3-5-11)16-9-12-6-7-17-10-12;/h6-7,10-11H,2-5,8-9H2,1H3,(H2,14,15,16);1H.
What are the key properties of 1-(cyclobutylmethyl)-3-ethyl-2-(furan-3-ylmethyl)guanidine;hydroiodide?
1-(cyclobutylmethyl)-3-ethyl-2-(furan-3-ylmethyl)guanidine;hydroiodide has a molecular weight of 363.24 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-ethyl-2-(furan-3-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 119151128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).