N-amino-N'-cyclopentyl-1,3-dihydro-2-benzofuran-5-carboximidamide

C14H19N3O — CID 63742348

IUPACN-amino-N'-cyclopentyl-1,3-dihydro-2-benzofuran-5-carboximidamide
SMILESNN/C(=N\C1CCCC1)c1ccc2c(c1)COC2
InChIInChI=1S/C14H19N3O/c15-17-14(16-13-3-1-2-4-13)10-5-6-11-8-18-9-12(11)7-10/h5-7,13H,1-4,8-9,15H2,(H,16,17)
InChIKeyDISHJEKKRJTUBA-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.87
Rot. Bonds2

About N-amino-N'-cyclopentyl-1,3-dihydro-2-benzofuran-5-carboximidamide

N-amino-N'-cyclopentyl-1,3-dihydro-2-benzofuran-5-carboximidamide (PubChem CID 63742348) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-amino-N'-cyclopentyl-1,3-dihydro-2-benzofuran-5-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopentyl-1,3-dihydro-2-benzofuran-5-carboximidamide
PubChem CID63742348
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-amino-N'-cyclopentyl-1,3-dihydro-2-benzofuran-5-carboximidamide
SMILESNN/C(=N\C1CCCC1)c1ccc2c(c1)COC2
InChIInChI=1S/C14H19N3O/c15-17-14(16-13-3-1-2-4-13)10-5-6-11-8-18-9-12(11)7-10/h5-7,13H,1-4,8-9,15H2,(H,16,17)
InChIKeyDISHJEKKRJTUBA-UHFFFAOYSA-N
XLogP1.87
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclopentyl-1,3-dihydro-2-benzofuran-5-carboximidamide?
The IUPAC name of N-amino-N'-cyclopentyl-1,3-dihydro-2-benzofuran-5-carboximidamide (CID 63742348) is N-amino-N'-cyclopentyl-1,3-dihydro-2-benzofuran-5-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopentyl-1,3-dihydro-2-benzofuran-5-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopentyl-1,3-dihydro-2-benzofuran-5-carboximidamide is NN/C(=N\C1CCCC1)c1ccc2c(c1)COC2.
What is the InChIKey of N-amino-N'-cyclopentyl-1,3-dihydro-2-benzofuran-5-carboximidamide?
The InChIKey is DISHJEKKRJTUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-17-14(16-13-3-1-2-4-13)10-5-6-11-8-18-9-12(11)7-10/h5-7,13H,1-4,8-9,15H2,(H,16,17).
What are the key properties of N-amino-N'-cyclopentyl-1,3-dihydro-2-benzofuran-5-carboximidamide?
N-amino-N'-cyclopentyl-1,3-dihydro-2-benzofuran-5-carboximidamide has a molecular weight of 245.33 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopentyl-1,3-dihydro-2-benzofuran-5-carboximidamide is sourced from PubChem (CID 63742348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).