4-bromo-N,N-diethylbenzenecarboximidamide

C11H15BrN2 — CID 63179467

IUPAC4-bromo-N,N-diethylbenzenecarboximidamide
SMILES[H]/N=C(/c1ccc(Br)cc1)N(CC)CC
InChIInChI=1S/C11H15BrN2/c1-3-14(4-2)11(13)9-5-7-10(12)8-6-9/h5-8,13H,3-4H2,1-2H3/b13-11-
InChIKeyXMQZAZVBJDHEEC-QBFSEMIESA-N
MW255.16 g/mol
LogP3.12
Rot. Bonds3

About 4-bromo-N,N-diethylbenzenecarboximidamide

4-bromo-N,N-diethylbenzenecarboximidamide (PubChem CID 63179467) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 4-bromo-N,N-diethylbenzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-N,N-diethylbenzenecarboximidamide
PubChem CID63179467
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name4-bromo-N,N-diethylbenzenecarboximidamide
SMILES[H]/N=C(/c1ccc(Br)cc1)N(CC)CC
InChIInChI=1S/C11H15BrN2/c1-3-14(4-2)11(13)9-5-7-10(12)8-6-9/h5-8,13H,3-4H2,1-2H3/b13-11-
InChIKeyXMQZAZVBJDHEEC-QBFSEMIESA-N
XLogP3.12
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4-bromo-N,N-diethylbenzenecarboximidamide?
The IUPAC name of 4-bromo-N,N-diethylbenzenecarboximidamide (CID 63179467) is 4-bromo-N,N-diethylbenzenecarboximidamide.
What is the SMILES notation for 4-bromo-N,N-diethylbenzenecarboximidamide?
The canonical SMILES for 4-bromo-N,N-diethylbenzenecarboximidamide is [H]/N=C(/c1ccc(Br)cc1)N(CC)CC.
What is the InChIKey of 4-bromo-N,N-diethylbenzenecarboximidamide?
The InChIKey is XMQZAZVBJDHEEC-QBFSEMIESA-N. The full InChI is InChI=1S/C11H15BrN2/c1-3-14(4-2)11(13)9-5-7-10(12)8-6-9/h5-8,13H,3-4H2,1-2H3/b13-11-.
What are the key properties of 4-bromo-N,N-diethylbenzenecarboximidamide?
4-bromo-N,N-diethylbenzenecarboximidamide has a molecular weight of 255.16 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-diethylbenzenecarboximidamide is sourced from PubChem (CID 63179467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).