N'-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclopentanecarboximidamide

C14H22N2O — CID 55160555

IUPACN'-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclopentanecarboximidamide
SMILESCc1cc(C(C)/N=C(\N)C2CCCC2)c(C)o1
InChIInChI=1S/C14H22N2O/c1-9-8-13(11(3)17-9)10(2)16-14(15)12-6-4-5-7-12/h8,10,12H,4-7H2,1-3H3,(H2,15,16)
InChIKeyHFIGDKUQEJHVMJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.50
Rot. Bonds3

About N'-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclopentanecarboximidamide

N'-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclopentanecarboximidamide (PubChem CID 55160555) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N'-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclopentanecarboximidamide
PubChem CID55160555
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN'-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclopentanecarboximidamide
SMILESCc1cc(C(C)/N=C(\N)C2CCCC2)c(C)o1
InChIInChI=1S/C14H22N2O/c1-9-8-13(11(3)17-9)10(2)16-14(15)12-6-4-5-7-12/h8,10,12H,4-7H2,1-3H3,(H2,15,16)
InChIKeyHFIGDKUQEJHVMJ-UHFFFAOYSA-N
XLogP3.50
TPSA51.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
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

1-(2,5-Dimethylfuran-3-yl)ethan-1-amine
CID 16768211
2-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]-4-methyl-1H-pyrimidin-6-one
CID 136538272
2-[[5-Methyl-2-(trifluoromethyl)furan-3-yl]methyl]guanidine
CID 59852201
2-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369836
2-(2,5-dimethylfuran-3-yl)-4,5-dihydro-1H-imidazole
CID 14964721
1-(Diaminomethylidene)-2-[(5-ethylfuran-3-yl)methyl]guanidine
CID 23068444
1-(Diaminomethylidene)-2-[(2-methylfuran-3-yl)methyl]guanidine
CID 23068446
1-(Diaminomethylidene)-2-[(2,4,5-trimethylfuran-3-yl)methyl]guanidine
CID 23068448
1-(Diaminomethylidene)-2-[(5-methylfuran-3-yl)methyl]guanidine
CID 23068451
1-(Diaminomethylidene)-2-[(2-ethylfuran-3-yl)methyl]guanidine
CID 23068455
1-(Diaminomethylidene)-2-[(2,5-dimethylfuran-3-yl)methyl]guanidine
CID 23068458
2,5-Dimethylfuran-3-carboximidamide hydrochloride
CID 42614713

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclopentanecarboximidamide?
The IUPAC name of N'-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclopentanecarboximidamide (CID 55160555) is N'-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclopentanecarboximidamide.
What is the SMILES notation for N'-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclopentanecarboximidamide?
The canonical SMILES for N'-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclopentanecarboximidamide is Cc1cc(C(C)/N=C(\N)C2CCCC2)c(C)o1.
What is the InChIKey of N'-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclopentanecarboximidamide?
The InChIKey is HFIGDKUQEJHVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-9-8-13(11(3)17-9)10(2)16-14(15)12-6-4-5-7-12/h8,10,12H,4-7H2,1-3H3,(H2,15,16).
What are the key properties of N'-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclopentanecarboximidamide?
N'-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclopentanecarboximidamide has a molecular weight of 234.34 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclopentanecarboximidamide is sourced from PubChem (CID 55160555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).