N'-ethyl-N,N-dimethylbenzenecarboximidamide

C11H16N2 — CID 13129372

IUPACN'-ethyl-N,N-dimethylbenzenecarboximidamide
SMILESCC/N=C(/c1ccccc1)N(C)C
InChIInChI=1S/C11H16N2/c1-4-12-11(13(2)3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3/b12-11-
InChIKeyGCSLLLKWCFDGSX-QXMHVHEDSA-N
MW176.26 g/mol
LogP2.01
Rot. Bonds2

About N'-ethyl-N,N-dimethylbenzenecarboximidamide

N'-ethyl-N,N-dimethylbenzenecarboximidamide (PubChem CID 13129372) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N'-ethyl-N,N-dimethylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-ethyl-N,N-dimethylbenzenecarboximidamide
PubChem CID13129372
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN'-ethyl-N,N-dimethylbenzenecarboximidamide
SMILESCC/N=C(/c1ccccc1)N(C)C
InChIInChI=1S/C11H16N2/c1-4-12-11(13(2)3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3/b12-11-
InChIKeyGCSLLLKWCFDGSX-QXMHVHEDSA-N
XLogP2.01
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.01
H-Bond Donors ≤ 50
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 N'-ethyl-N,N-dimethylbenzenecarboximidamide?
The IUPAC name of N'-ethyl-N,N-dimethylbenzenecarboximidamide (CID 13129372) is N'-ethyl-N,N-dimethylbenzenecarboximidamide.
What is the SMILES notation for N'-ethyl-N,N-dimethylbenzenecarboximidamide?
The canonical SMILES for N'-ethyl-N,N-dimethylbenzenecarboximidamide is CC/N=C(/c1ccccc1)N(C)C.
What is the InChIKey of N'-ethyl-N,N-dimethylbenzenecarboximidamide?
The InChIKey is GCSLLLKWCFDGSX-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H16N2/c1-4-12-11(13(2)3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3/b12-11-.
What are the key properties of N'-ethyl-N,N-dimethylbenzenecarboximidamide?
N'-ethyl-N,N-dimethylbenzenecarboximidamide has a molecular weight of 176.26 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N,N-dimethylbenzenecarboximidamide is sourced from PubChem (CID 13129372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).