7-tert-butyl-N,N,3,3-tetramethyl-2H-1-benzofuran-5-carboximidamide

C17H26N2O — CID 10540301

IUPAC7-tert-butyl-N,N,3,3-tetramethyl-2H-1-benzofuran-5-carboximidamide
SMILES[H]/N=C(/c1cc(C(C)(C)C)c2c(c1)C(C)(C)CO2)N(C)C
InChIInChI=1S/C17H26N2O/c1-16(2,3)12-8-11(15(18)19(6)7)9-13-14(12)20-10-17(13,4)5/h8-9,18H,10H2,1-7H3/b18-15-
InChIKeyQPFBMZSZCQHIFS-SDXDJHTJSA-N
MW274.41 g/mol
LogP3.54
Rot. Bonds1

About 7-tert-butyl-N,N,3,3-tetramethyl-2H-1-benzofuran-5-carboximidamide

7-tert-butyl-N,N,3,3-tetramethyl-2H-1-benzofuran-5-carboximidamide (PubChem CID 10540301) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 7-tert-butyl-N,N,3,3-tetramethyl-2H-1-benzofuran-5-carboximidamide.

Molecular Properties

Compound Name7-tert-butyl-N,N,3,3-tetramethyl-2H-1-benzofuran-5-carboximidamide
PubChem CID10540301
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name7-tert-butyl-N,N,3,3-tetramethyl-2H-1-benzofuran-5-carboximidamide
SMILES[H]/N=C(/c1cc(C(C)(C)C)c2c(c1)C(C)(C)CO2)N(C)C
InChIInChI=1S/C17H26N2O/c1-16(2,3)12-8-11(15(18)19(6)7)9-13-14(12)20-10-17(13,4)5/h8-9,18H,10H2,1-7H3/b18-15-
InChIKeyQPFBMZSZCQHIFS-SDXDJHTJSA-N
XLogP3.54
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.54
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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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-N,N,3,3-tetramethyl-2H-1-benzofuran-5-carboximidamide?
The IUPAC name of 7-tert-butyl-N,N,3,3-tetramethyl-2H-1-benzofuran-5-carboximidamide (CID 10540301) is 7-tert-butyl-N,N,3,3-tetramethyl-2H-1-benzofuran-5-carboximidamide.
What is the SMILES notation for 7-tert-butyl-N,N,3,3-tetramethyl-2H-1-benzofuran-5-carboximidamide?
The canonical SMILES for 7-tert-butyl-N,N,3,3-tetramethyl-2H-1-benzofuran-5-carboximidamide is [H]/N=C(/c1cc(C(C)(C)C)c2c(c1)C(C)(C)CO2)N(C)C.
What is the InChIKey of 7-tert-butyl-N,N,3,3-tetramethyl-2H-1-benzofuran-5-carboximidamide?
The InChIKey is QPFBMZSZCQHIFS-SDXDJHTJSA-N. The full InChI is InChI=1S/C17H26N2O/c1-16(2,3)12-8-11(15(18)19(6)7)9-13-14(12)20-10-17(13,4)5/h8-9,18H,10H2,1-7H3/b18-15-.
What are the key properties of 7-tert-butyl-N,N,3,3-tetramethyl-2H-1-benzofuran-5-carboximidamide?
7-tert-butyl-N,N,3,3-tetramethyl-2H-1-benzofuran-5-carboximidamide has a molecular weight of 274.41 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-N,N,3,3-tetramethyl-2H-1-benzofuran-5-carboximidamide is sourced from PubChem (CID 10540301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).