1-cyclopentyl-2-[(5-methylfuran-2-yl)methyl]guanidine

C12H19N3O — CID 62525249

IUPAC1-cyclopentyl-2-[(5-methylfuran-2-yl)methyl]guanidine
SMILESCc1ccc(C/N=C(\N)NC2CCCC2)o1
InChIInChI=1S/C12H19N3O/c1-9-6-7-11(16-9)8-14-12(13)15-10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3,(H3,13,14,15)
InChIKeyWLFHRDKOVVNMDX-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.93
Rot. Bonds3

About 1-cyclopentyl-2-[(5-methylfuran-2-yl)methyl]guanidine

1-cyclopentyl-2-[(5-methylfuran-2-yl)methyl]guanidine (PubChem CID 62525249) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-cyclopentyl-2-[(5-methylfuran-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[(5-methylfuran-2-yl)methyl]guanidine
PubChem CID62525249
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-cyclopentyl-2-[(5-methylfuran-2-yl)methyl]guanidine
SMILESCc1ccc(C/N=C(\N)NC2CCCC2)o1
InChIInChI=1S/C12H19N3O/c1-9-6-7-11(16-9)8-14-12(13)15-10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3,(H3,13,14,15)
InChIKeyWLFHRDKOVVNMDX-UHFFFAOYSA-N
XLogP1.93
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.93
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'}

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Related Compounds

methyl 5-[[[amino-(cyclobutylamino)methylidene]amino]methyl]furan-2-carboxylate
CID 122095583
1-cycloheptyl-2-[(3-methylfuran-2-yl)methyl]guanidine
CID 122082759
1-cyclohexyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 119120615
1-cyclohexyl-2-[(5-ethylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111065001
2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-cyclohexylguanidine;hydroiodide
CID 111064293
1-cycloheptyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine
CID 122096466
1-cyclobutyl-2-[(4-iodo-3-methylphenyl)methyl]guanidine
CID 122095889
N-cyclobutyl-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide
CID 4677844
1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]guanidine
CID 62369891
2-[(3-bromophenyl)methyl]-1-cyclopentylguanidine
CID 62367888
2-[(4-tert-butylphenyl)methyl]-1-cyclohexylguanidine;hydrochloride
CID 14853437
1-cyclopentyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 119147857

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[(5-methylfuran-2-yl)methyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-[(5-methylfuran-2-yl)methyl]guanidine (CID 62525249) is 1-cyclopentyl-2-[(5-methylfuran-2-yl)methyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-[(5-methylfuran-2-yl)methyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-[(5-methylfuran-2-yl)methyl]guanidine is Cc1ccc(C/N=C(\N)NC2CCCC2)o1.
What is the InChIKey of 1-cyclopentyl-2-[(5-methylfuran-2-yl)methyl]guanidine?
The InChIKey is WLFHRDKOVVNMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-6-7-11(16-9)8-14-12(13)15-10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3,(H3,13,14,15).
What are the key properties of 1-cyclopentyl-2-[(5-methylfuran-2-yl)methyl]guanidine?
1-cyclopentyl-2-[(5-methylfuran-2-yl)methyl]guanidine has a molecular weight of 221.30 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[(5-methylfuran-2-yl)methyl]guanidine is sourced from PubChem (CID 62525249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).