N,N-dimethyl-N'-(1-quinoxalin-2-ylethylideneamino)methanimidamide

C13H15N5 — CID 74516256

IUPACN,N-dimethyl-N'-(1-quinoxalin-2-ylethylideneamino)methanimidamide
SMILESCC(=NN=CN(C)C)c1cnc2ccccc2n1
InChIInChI=1S/C13H15N5/c1-10(17-15-9-18(2)3)13-8-14-11-6-4-5-7-12(11)16-13/h4-9H,1-3H3
InChIKeyJWXJZIWDBODMAY-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.94
Rot. Bonds3

About N,N-dimethyl-N'-(1-quinoxalin-2-ylethylideneamino)methanimidamide

N,N-dimethyl-N'-(1-quinoxalin-2-ylethylideneamino)methanimidamide (PubChem CID 74516256) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is N,N-dimethyl-N'-(1-quinoxalin-2-ylethylideneamino)methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(1-quinoxalin-2-ylethylideneamino)methanimidamide
PubChem CID74516256
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC NameN,N-dimethyl-N'-(1-quinoxalin-2-ylethylideneamino)methanimidamide
SMILESCC(=NN=CN(C)C)c1cnc2ccccc2n1
InChIInChI=1S/C13H15N5/c1-10(17-15-9-18(2)3)13-8-14-11-6-4-5-7-12(11)16-13/h4-9H,1-3H3
InChIKeyJWXJZIWDBODMAY-UHFFFAOYSA-N
XLogP1.94
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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,N-dimethyl-N'-(1-quinoxalin-2-ylethylideneamino)methanimidamide?
The IUPAC name of N,N-dimethyl-N'-(1-quinoxalin-2-ylethylideneamino)methanimidamide (CID 74516256) is N,N-dimethyl-N'-(1-quinoxalin-2-ylethylideneamino)methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(1-quinoxalin-2-ylethylideneamino)methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(1-quinoxalin-2-ylethylideneamino)methanimidamide is CC(=NN=CN(C)C)c1cnc2ccccc2n1.
What is the InChIKey of N,N-dimethyl-N'-(1-quinoxalin-2-ylethylideneamino)methanimidamide?
The InChIKey is JWXJZIWDBODMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-10(17-15-9-18(2)3)13-8-14-11-6-4-5-7-12(11)16-13/h4-9H,1-3H3.
What are the key properties of N,N-dimethyl-N'-(1-quinoxalin-2-ylethylideneamino)methanimidamide?
N,N-dimethyl-N'-(1-quinoxalin-2-ylethylideneamino)methanimidamide has a molecular weight of 241.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(1-quinoxalin-2-ylethylideneamino)methanimidamide is sourced from PubChem (CID 74516256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).