N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopentanecarboximidamide

C15H20N2O — CID 55158622

IUPACN'-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopentanecarboximidamide
SMILESN/C(=N\CC1Cc2ccccc2O1)C1CCCC1
InChIInChI=1S/C15H20N2O/c16-15(11-5-1-2-6-11)17-10-13-9-12-7-3-4-8-14(12)18-13/h3-4,7-8,11,13H,1-2,5-6,9-10H2,(H2,16,17)
InChIKeyZRDDPAPWIWCRAO-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.54
Rot. Bonds3

About N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopentanecarboximidamide

N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopentanecarboximidamide (PubChem CID 55158622) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopentanecarboximidamide
PubChem CID55158622
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN'-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopentanecarboximidamide
SMILESN/C(=N\CC1Cc2ccccc2O1)C1CCCC1
InChIInChI=1S/C15H20N2O/c16-15(11-5-1-2-6-11)17-10-13-9-12-7-3-4-8-14(12)18-13/h3-4,7-8,11,13H,1-2,5-6,9-10H2,(H2,16,17)
InChIKeyZRDDPAPWIWCRAO-UHFFFAOYSA-N
XLogP2.54
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.54
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

N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzenecarboximidamide
CID 63176117
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-4-carboximidamide
CID 111062908
2-(3,4-dihydro-2H-chromen-2-ylmethyl)guanidine
CID 154114295
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclohexan-1-amine
CID 66363798
2-(cyclobutylmethyl)-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)guanidine
CID 111062950
1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
CID 60752409
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111062967
ethyl 4-[N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylcarbamimidoyl]piperazine-1-carboxylate
CID 111163943
2-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 141218488
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-ethyl-3-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]guanidine
CID 111949903
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azepan-2-yl]propan-2-ol
CID 114338733
2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]ethanamine
CID 66365373

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopentanecarboximidamide?
The IUPAC name of N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopentanecarboximidamide (CID 55158622) is N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopentanecarboximidamide.
What is the SMILES notation for N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopentanecarboximidamide?
The canonical SMILES for N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopentanecarboximidamide is N/C(=N\CC1Cc2ccccc2O1)C1CCCC1.
What is the InChIKey of N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopentanecarboximidamide?
The InChIKey is ZRDDPAPWIWCRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c16-15(11-5-1-2-6-11)17-10-13-9-12-7-3-4-8-14(12)18-13/h3-4,7-8,11,13H,1-2,5-6,9-10H2,(H2,16,17).
What are the key properties of N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopentanecarboximidamide?
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopentanecarboximidamide has a molecular weight of 244.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopentanecarboximidamide is sourced from PubChem (CID 55158622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).