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

C12H17N3O — CID 63744887

IUPACN-amino-N'-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboximidamide
SMILESCC(C)/N=C(\NN)c1ccc2c(c1)COC2
InChIInChI=1S/C12H17N3O/c1-8(2)14-12(15-13)9-3-4-10-6-16-7-11(10)5-9/h3-5,8H,6-7,13H2,1-2H3,(H,14,15)
InChIKeyQAVKQVLYDNZLKM-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.34
Rot. Bonds2

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

N-amino-N'-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboximidamide (PubChem CID 63744887) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-amino-N'-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboximidamide
PubChem CID63744887
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-amino-N'-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboximidamide
SMILESCC(C)/N=C(\NN)c1ccc2c(c1)COC2
InChIInChI=1S/C12H17N3O/c1-8(2)14-12(15-13)9-3-4-10-6-16-7-11(10)5-9/h3-5,8H,6-7,13H2,1-2H3,(H,14,15)
InChIKeyQAVKQVLYDNZLKM-UHFFFAOYSA-N
XLogP1.34
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.34
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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Related Compounds

N-amino-N'-cyclopentyl-1,3-dihydro-2-benzofuran-5-carboximidamide
CID 63742348
2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)propan-1-one
CID 82609750
N-(3-amino-2-methylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732267
1,3-dihydro-2-benzofuran-5-yl-(4-propan-2-ylphenyl)methanone
CID 63021603
N-[4-(1-aminoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63733677
2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-3-methylbutanoic acid
CID 63733070
N-[2-(propan-2-ylamino)ethyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63743519
2-cyclopropyl-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-one
CID 83154271
3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpropanoic acid
CID 63733095
N-(1-aminobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63755903
1-(1,3-dihydro-2-benzofuran-5-yl)-2-propan-2-yloxyethanone
CID 115785102
(1R)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
CID 82759253

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboximidamide?
The IUPAC name of N-amino-N'-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboximidamide (CID 63744887) is N-amino-N'-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboximidamide.
What is the SMILES notation for N-amino-N'-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboximidamide?
The canonical SMILES for N-amino-N'-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboximidamide is CC(C)/N=C(\NN)c1ccc2c(c1)COC2.
What is the InChIKey of N-amino-N'-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboximidamide?
The InChIKey is QAVKQVLYDNZLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8(2)14-12(15-13)9-3-4-10-6-16-7-11(10)5-9/h3-5,8H,6-7,13H2,1-2H3,(H,14,15).
What are the key properties of N-amino-N'-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboximidamide?
N-amino-N'-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboximidamide has a molecular weight of 219.29 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboximidamide is sourced from PubChem (CID 63744887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).