1-cyclopentyl-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide

C12H20IN3O — CID 110991138

IUPAC1-cyclopentyl-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCc1ccco1)NC1CCCC1.I
InChIInChI=1S/C12H19N3O.HI/c1-13-12(15-10-5-2-3-6-10)14-9-11-7-4-8-16-11;/h4,7-8,10H,2-3,5-6,9H2,1H3,(H2,13,14,15);1H
InChIKeyRKYODEQIRLBQBG-UHFFFAOYSA-N
MW349.22 g/mol
LogP2.51
Rot. Bonds3

About 1-cyclopentyl-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide

1-cyclopentyl-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide (PubChem CID 110991138) has the molecular formula C12H20IN3O and a molecular weight of 349.22 g/mol. Its IUPAC name is 1-cyclopentyl-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopentyl-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide
PubChem CID110991138
Molecular FormulaC12H20IN3O
Molecular Weight349.22 g/mol
Exact Mass349.07
IUPAC Name1-cyclopentyl-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCc1ccco1)NC1CCCC1.I
InChIInChI=1S/C12H19N3O.HI/c1-13-12(15-10-5-2-3-6-10)14-9-11-7-4-8-16-11;/h4,7-8,10H,2-3,5-6,9H2,1H3,(H2,13,14,15);1H
InChIKeyRKYODEQIRLBQBG-UHFFFAOYSA-N
XLogP2.51
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 52.51
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-cyclohexyl-3-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylguanidine
CID 111770748
3-[[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 110957426
1-(furan-2-ylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide
CID 119132815
1-(furan-2-ylmethyl)-2-methyl-3-[3-(2-methylphenyl)cyclobutyl]guanidine;hydroiodide
CID 120679723
1-(furan-2-ylmethyl)-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111910532
1-[3-(3,5-difluorophenyl)cyclobutyl]-3-(furan-2-ylmethyl)-2-methylguanidine
CID 120671777
1-cyclopentyl-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111771191
2-[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 111918531
1-[2-(furan-2-yl)ethyl]-2-methyl-3-(4-phenylcyclohexyl)guanidine
CID 110054544
1-cyclopentyl-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-(furan-2-ylmethyl)guanidine
CID 111491382
N-(furan-2-ylmethyl)-2-[[N'-methyl-N-(1-propan-2-ylpiperidin-4-yl)carbamimidoyl]amino]acetamide
CID 111317966
1-cyclopentyl-3-(furan-2-ylmethylcarbamothioylamino)thiourea
CID 8789325

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-cyclopentyl-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide (CID 110991138) is 1-cyclopentyl-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclopentyl-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-cyclopentyl-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide is C/N=C(\NCc1ccco1)NC1CCCC1.I.
What is the InChIKey of 1-cyclopentyl-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide?
The InChIKey is RKYODEQIRLBQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.HI/c1-13-12(15-10-5-2-3-6-10)14-9-11-7-4-8-16-11;/h4,7-8,10H,2-3,5-6,9H2,1H3,(H2,13,14,15);1H.
What are the key properties of 1-cyclopentyl-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide?
1-cyclopentyl-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide has a molecular weight of 349.22 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 110991138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).